4-methyl-1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-3-(4-nitrophenyl)sulfonyl-propyl]piperidin-1-ium

Systemtic Name: 4-methyl-1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-3-(4-nitrophenyl)sulfonyl-propyl]piperidin-1-ium Openeye Name: 4-methyl-1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-3-(4-nitrophenyl)sulfonyl-propyl]piperidin-1-ium CAS Name: 4-methyl-1-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-3-(4-nitrophenyl)sulfonylpropyl]piperidin-1-ium IUPAC Name: 4-methyl-1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-3-(4-nitrophenyl)sulfonylpropyl]piperidin-1-ium Traditional Name: 4-methyl-1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-3-nosyl-propyl]piperidin-1-ium Formula: C21H35N3O4S+2 MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCC(CC3)C

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCC(CC3)C

InChI

InChI=1S/C21H33N3O4S/c1-17-7-11-22(12-8-17)15-20(23-13-9-18(2)10-14-23)16-29(27,28)21-5-3-19(4-6-21)24(25)26/h3-6,17-18,20H,7-16H2,1-2H3/p+2/t20-/m1/s1