1-[3-ethyl-2-[(oxan-4-ylamino)methyl-(2-propoxyethyl)amino]phenyl]-1-methanoyl-N-methyl-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: 1-[3-ethyl-2-[(oxan-4-ylamino)methyl-(2-propoxyethyl)amino]phenyl]-1-methanoyl-N-methyl-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-[3-ethyl-2-[2-propoxyethyl-[(tetrahydropyran-4-ylamino)methyl]amino]phenyl]-1-formyl-N-methyl-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-[3-ethyl-2-[(4-oxanylamino)methyl-(2-propoxyethyl)amino]phenyl]-1-formyl-N-methyl-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-[3-ethyl-2-[(oxan-4-ylamino)methyl-(2-propoxyethyl)amino]phenyl]-1-formyl-N-methyl-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-[3-ethyl-2-[2-propoxyethyl-[(tetrahydropyran-4-ylamino)methyl]amino]phenyl]-1-formyl-N-methyl-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C38H49N4O4+ MolecularWeight: 625.82006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN(CNC1CCOCC1)C2=C(C=CC=C2[N+]3(CCC(=CC4=CC=CC=C43)C(=O)N(C)C5=CC=CC=C5)C=O)CC

Isomeric SMILES

CCCOCCN(CNC1CCOCC1)C2=C(C=CC=C2[N+]3(CCC(=CC4=CC=CC=C43)C(=O)N(C)C5=CC=CC=C5)C=O)CC

InChI

InChI=1S/C38H49N4O4/c1-4-23-45-26-21-41(28-39-33-19-24-46-25-20-33)37-30(5-2)13-11-17-36(37)42(29-43)22-18-32(27-31-12-9-10-16-35(31)42)38(44)40(3)34-14-7-6-8-15-34/h6-17,27,29,33,39H,4-5,18-26,28H2,1-3H3/q+1