(3-carbamimidoylphenyl)-[[1-(carboxymethyl)imidazol-4-yl]methylamino]-ethanoyl-(4-propan-2-ylphenyl)azanium

Systemtic Name: (3-carbamimidoylphenyl)-[[1-(carboxymethyl)imidazol-4-yl]methylamino]-ethanoyl-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-[[1-(carboxymethyl)imidazol-4-yl]methylamino]-(4-isopropylphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[[1-(carboxymethyl)-4-imidazolyl]methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[[1-(carboxymethyl)imidazol-4-yl]methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[[1-(carboxymethyl)imidazol-4-yl]methylamino]-p-cumenyl-ammonium Formula: C24H29N6O3+ MolecularWeight: 449.52546

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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=CN(C=N3)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CN(C=N3)CC(=O)O

InChI

InChI=1S/C24H28N6O3/c1-16(2)18-7-9-21(10-8-18)30(17(3)31,22-6-4-5-19(11-22)24(25)26)28-12-20-13-29(15-27-20)14-23(32)33/h4-11,13,15-16,28H,12,14H2,1-3H3,(H3-,25,26,32,33)/p+1