1-[3-(2-ethoxyethyl)-2-(methylamino)phenyl]-1-methanoyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylate

Systemtic Name: 1-[3-(2-ethoxyethyl)-2-(methylamino)phenyl]-1-methanoyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylate Openeye Name: 1-[3-(2-ethoxyethyl)-2-(methylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylate CAS Name: 1-[3-(2-ethoxyethyl)-2-(methylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylate IUPAC Name: 1-[3-(2-ethoxyethyl)-2-(methylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-ethoxyethyl)-2-(methylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=C(C(=CC=C1)[N+]2(CCC(=CC3=CC=CC=C32)C(=O)[O-])C=O)NC

Isomeric SMILES

CCOCCC1=C(C(=CC=C1)[N+]2(CCC(=CC3=CC=CC=C32)C(=O)[O-])C=O)NC

InChI

InChI=1S/C23H26N2O4/c1-3-29-14-12-17-8-6-10-21(22(17)24-2)25(16-26)13-11-19(23(27)28)15-18-7-4-5-9-20(18)25/h4-10,15-16,24H,3,11-14H2,1-2H3