N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrrolidine-1-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrrolidine-1-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrrolidine-1-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrrolidine-1-carboxamide Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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