1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propyl]isonipecotamide Formula: C22H35N4O5S+ MolecularWeight: 467.6021

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H34N4O5S/c1-17-5-3-11-24(16-17)12-4-10-23-22(27)19-8-13-25(14-9-19)32(30,31)21-15-20(26(28)29)7-6-18(21)2/h6-7,15,17,19H,3-5,8-14,16H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1