methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19(2)21-11-9-20(10-12-21)17-24(3)18-23(27)25-13-15-26(16-14-25)30(28,29)22-7-5-4-6-8-22/h4-12,19H,13-18H2,1-3H3/p+1