3-azanyl-2-carboxy-1,3-dimethyl-1-(4-phenylphenyl)-4,5-dihydro-1-benzazepin-1-ium-2-olate

Systemtic Name: 3-azanyl-2-carboxy-1,3-dimethyl-1-(4-phenylphenyl)-4,5-dihydro-1-benzazepin-1-ium-2-olate Openeye Name: 3-amino-2-carboxy-1,3-dimethyl-1-(4-phenylphenyl)-4,5-dihydro-1-benzazepin-1-ium-2-olate CAS Name: 3-amino-2-carboxy-1,3-dimethyl-1-(4-phenylphenyl)-4,5-dihydro-1-benzazepin-1-ium-2-olate IUPAC Name: 3-amino-2-carboxy-1,3-dimethyl-1-(4-phenylphenyl)-4,5-dihydro-1-benzazepin-1-ium-2-olate Traditional Name: 3-amino-2-carboxy-1,3-dimethyl-1-(4-phenylphenyl)-4,5-dihydro-1-benzazepin-1-ium-2-olate Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=CC=CC=C2[N+](C1(C(=O)O)[O-])(C)C3=CC=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC1(CCC2=CC=CC=C2[N+](C1(C(=O)O)[O-])(C)C3=CC=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H26N2O3/c1-24(26)17-16-20-10-6-7-11-22(20)27(2,25(24,30)23(28)29)21-14-12-19(13-15-21)18-8-4-3-5-9-18/h3-15H,16-17,26H2,1-2H3,(H,28,29)