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

Systemtic Name: N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: N,1-dimethyl-N-phenyl-7-(4-propoxyphenyl)-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: N,1-dimethyl-N-phenyl-7-(4-propoxyphenyl)-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C34H42N3O3+ MolecularWeight: 540.71558

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(C)CNC5CCOCC5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(C)CNC5CCOCC5

InChI

InChI=1S/C34H42N3O3/c1-4-20-40-32-13-10-26(11-14-32)27-12-15-33-29(23-27)24-28(34(38)36(2)31-8-6-5-7-9-31)16-19-37(33,3)25-35-30-17-21-39-22-18-30/h5-15,23-24,30,35H,4,16-22,25H2,1-3H3/q+1