N-(4-methylpiperazin-4-ium-1-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H24N4O3S/c1-18-10-12-19(13-11-18)17-16(21)14-4-6-15(7-5-14)24(22,23)20-8-2-3-9-20/h4-7H,2-3,8-13H2,1H3,(H,17,21)/p+1