1-[3-(2-ethoxyethyl)-2-(ethylamino)phenyl]-1-methanoyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylic acid

Systemtic Name: 1-[3-(2-ethoxyethyl)-2-(ethylamino)phenyl]-1-methanoyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylic acid Openeye Name: 1-[3-(2-ethoxyethyl)-2-(ethylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylic acid CAS Name: 1-[3-(2-ethoxyethyl)-2-(ethylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylic acid IUPAC Name: 1-[3-(2-ethoxyethyl)-2-(ethylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylic acid Traditional Name: 1-[3-(2-ethoxyethyl)-2-(ethylamino)phenyl]-1-formyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxylic acid Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC=C1[N+]2(CCC(=CC3=CC=CC=C32)C(=O)O)C=O)CCOCC

Isomeric SMILES

CCNC1=C(C=CC=C1[N+]2(CCC(=CC3=CC=CC=C32)C(=O)O)C=O)CCOCC

InChI

InChI=1S/C24H28N2O4/c1-3-25-23-18(13-15-30-4-2)9-7-11-22(23)26(17-27)14-12-20(24(28)29)16-19-8-5-6-10-21(19)26/h5-11,16-17,25H,3-4,12-15H2,1-2H3/p+1