(3-carbamimidoylphenyl)-ethanoyl-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)azanium hydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)azanium hydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[(3-methylsulfonylphenyl)methylamino]ammonium hydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)ammonium hydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)azanium hydrochloride Traditional Name: acetyl-(3-amidinophenyl)-[(3-mesylbenzyl)amino]-p-cumenyl-ammonium hydrochloride Formula: C26H32ClN4O3S+ MolecularWeight: 516.07528

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=CC(=CC=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C26H31N4O3S.ClH/c1-18(2)21-11-13-23(14-12-21)30(19(3)31,24-9-6-8-22(16-24)26(27)28)29-17-20-7-5-10-25(15-20)34(4,32)33;/h5-16,18,29H,17H2,1-4H3,(H3,27,28);1H/q+1;