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

Systemtic Name: 1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-formyl-N-methyl-N-phenyl-7-(4-propoxyphenyl)-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-formyl-N-methyl-N-phenyl-7-(4-propoxyphenyl)-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C34H40N3O4+ MolecularWeight: 554.6991

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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)(CNC5CCOCC5)C=O

Isomeric SMILES

CCCOC1=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/C34H40N3O4/c1-3-19-41-32-12-9-26(10-13-32)27-11-14-33-29(22-27)23-28(34(39)36(2)31-7-5-4-6-8-31)15-18-37(33,25-38)24-35-30-16-20-40-21-17-30/h4-14,22-23,25,30,35H,3,15-21,24H2,1-2H3/q+1