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

Systemtic Name: 7-(3,4-diethoxyphenyl)-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-(3,4-diethoxyphenyl)-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-(3,4-diethoxyphenyl)-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-(3,4-diethoxyphenyl)-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-(3,4-diethoxyphenyl)-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H42N3O5+ MolecularWeight: 584.72508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O)OCC

InChI

InChI=1S/C35H42N3O5/c1-4-42-33-14-12-27(23-34(33)43-5-2)26-11-13-32-29(21-26)22-28(35(40)37(3)31-9-7-6-8-10-31)15-18-38(32,25-39)24-36-30-16-19-41-20-17-30/h6-14,21-23,25,30,36H,4-5,15-20,24H2,1-3H3/q+1