2-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide

Systemtic Name: 2-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide Openeye Name: 2-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]propanamide Traditional Name: 2-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]propionamide Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H32N4O3S/c1-16(2)20(25)21-18-15-17(28(26,27)24-9-5-4-6-10-24)7-8-19(18)23-13-11-22(3)12-14-23/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,21,25)/p+1