7-[4-(2-butoxyethoxy)phenyl]-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C37H46N3O5+ MolecularWeight: 612.77824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O

InChI

InChI=1S/C37H46N3O5/c1-3-4-20-43-23-24-45-35-13-10-29(11-14-35)30-12-15-36-32(25-30)26-31(37(42)39(2)34-8-6-5-7-9-34)16-19-40(36,28-41)27-38-33-17-21-44-22-18-33/h5-15,25-26,28,33,38H,3-4,16-24,27H2,1-2H3/q+1