1-[(3-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-methyl-1-piperidyl)sulfonyl]-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-(4-methylpiperidino)sulfonyl-piperazin-1-ium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C18H29N3O2S/c1-16-6-8-20(9-7-16)24(22,23)21-12-10-19(11-13-21)15-18-5-3-4-17(2)14-18/h3-5,14,16H,6-13,15H2,1-2H3/p+1