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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3S/c1-3-4-8-21(26)22-19-17-18(29(27,28)25-11-6-5-7-12-25)9-10-20(19)24-15-13-23(2)14-16-24/h9-10,17H,3-8,11-16H2,1-2H3,(H,22,26)/p+1