[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl-propan-2-yl-azanium

Systemtic Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl-propan-2-yl-azanium Openeye Name: isopropyl-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl]ammonium CAS Name: [4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methyl-propan-2-ylammonium IUPAC Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl-propan-2-ylazanium Traditional Name: isopropyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzyl]ammonium Formula: C15H27N3O2S+2 MolecularWeight: 313.45878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H25N3O2S/c1-13(2)16-12-14-4-6-15(7-5-14)21(19,20)18-10-8-17(3)9-11-18/h4-7,13,16H,8-12H2,1-3H3/p+2