dimethyl-[(2R)-4-methyl-1-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]pentan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-4-methyl-1-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1R)-3-methyl-1-[[2-nitro-4-(1-piperidylsulfonyl)anilino]methyl]butyl]ammonium CAS Name: dimethyl-[(2R)-4-methyl-1-[2-nitro-4-(1-piperidinylsulfonyl)anilino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-4-methyl-1-(2-nitro-4-piperidin-1-ylsulfonylanilino)pentan-2-yl]azanium Traditional Name: dimethyl-[(1R)-3-methyl-1-[(2-nitro-4-piperidinosulfonyl-anilino)methyl]butyl]ammonium Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C19H32N4O4S/c1-15(2)12-16(21(3)4)14-20-18-9-8-17(13-19(18)23(24)25)28(26,27)22-10-6-5-7-11-22/h8-9,13,15-16,20H,5-7,10-12,14H2,1-4H3/p+1/t16-/m1/s1