2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-piperidinosulfonyl-benzamide Formula: C21H35N4O3S+ MolecularWeight: 423.5926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCN3CC[NH+](CC3)C

InChI

InChI=1S/C21H34N4O3S/c1-18-7-8-19(29(27,28)25-11-4-3-5-12-25)17-20(18)21(26)22-9-6-10-24-15-13-23(2)14-16-24/h7-8,17H,3-6,9-16H2,1-2H3,(H,22,26)/p+1