(3-carbamimidoylphenyl)-[[3-(carboxymethyloxy)phenyl]methylamino]-ethanoyl-(4-propan-2-ylphenyl)azanium

Systemtic Name: (3-carbamimidoylphenyl)-[[3-(carboxymethyloxy)phenyl]methylamino]-ethanoyl-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-[[3-(carboxymethyloxy)phenyl]methylamino]-(4-isopropylphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[[3-(carboxymethyloxy)phenyl]methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[[3-(carboxymethyloxy)phenyl]methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[[3-(carboxymethyloxy)benzyl]amino]-p-cumenyl-ammonium Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C27H30N4O4/c1-18(2)21-10-12-23(13-11-21)31(19(3)32,24-8-5-7-22(15-24)27(28)29)30-16-20-6-4-9-25(14-20)35-17-26(33)34/h4-15,18,30H,16-17H2,1-3H3,(H3-,28,29,33,34)/p+1