[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Openeye Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Traditional Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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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)[N+]3=CC=CC=C3NC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)[N+]3=CC=CC=C3NC(C)C

InChI

InChI=1S/C21H26N4O5S/c1-15(2)22-20-6-4-5-11-24(20)21(26)17-9-12-23(13-10-17)31(29,30)19-14-18(25(27)28)8-7-16(19)3/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3/p+1