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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[(1-methylimidazol-4-yl)methylamino]ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[(1-methyl-4-imidazolyl)methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[(1-methylimidazol-4-yl)methylamino]-p-cumenyl-ammonium Formula: C23H29N6O+ MolecularWeight: 405.51596

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N6O/c1-16(2)18-8-10-21(11-9-18)29(17(3)30,27-13-20-14-28(4)15-26-20)22-7-5-6-19(12-22)23(24)25/h5-12,14-16,27H,13H2,1-4H3,(H3,24,25)/q+1