6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

Systemtic Name: 6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide Openeye Name: N,N-diisopropyl-6-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyridine-3-sulfonamide CAS Name: 6-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-N,N-di(propan-2-yl)-3-pyridinesulfonamide IUPAC Name: 6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide Traditional Name: N,N-diisopropyl-6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyridine-3-sulfonamide Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N(C(C)C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N(C(C)C)C(C)C

InChI

InChI=1S/C23H34N4O2S/c1-18(2)27(19(3)4)30(28,29)22-10-11-23(24-16-22)26-14-12-25(13-15-26)17-21-9-7-6-8-20(21)5/h6-11,16,18-19H,12-15,17H2,1-5H3/p+1