1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H32N4O5S/c1-15(2)23-10-8-18(9-11-23)22-21(26)17-6-12-24(13-7-17)31(29,30)20-14-19(25(27)28)5-4-16(20)3/h4-5,14-15,17-18H,6-13H2,1-3H3,(H,22,26)/p+1