(4-carboxy-3-methyl-2,6-diphenyl-phenyl)-methyl-(phenethylamino)-propanoyl-azanium

Systemtic Name: (4-carboxy-3-methyl-2,6-diphenyl-phenyl)-methyl-(phenethylamino)-propanoyl-azanium Openeye Name: (4-carboxy-3-methyl-2,6-diphenyl-phenyl)-methyl-(phenethylamino)-propanoyl-ammonium CAS Name: (4-carboxy-3-methyl-2,6-diphenylphenyl)-methyl-(1-oxopropyl)-(phenethylamino)ammonium IUPAC Name: (4-carboxy-3-methyl-2,6-diphenylphenyl)-methyl-(phenethylamino)-propanoylazanium Traditional Name: (4-carboxy-3-methyl-2,6-diphenyl-phenyl)-methyl-(phenethylamino)-propionyl-ammonium Formula: C32H33N2O3+ MolecularWeight: 493.61602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](C)(C1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C)C3=CC=CC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)[N+](C)(C1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C)C3=CC=CC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C32H32N2O3/c1-4-29(35)34(3,33-21-20-24-14-8-5-9-15-24)31-28(25-16-10-6-11-17-25)22-27(32(36)37)23(2)30(31)26-18-12-7-13-19-26/h5-19,22,33H,4,20-21H2,1-3H3/p+1