dimethyl-[(1R)-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(3-nitro-4-piperidino-benzoyl)amino]-1-(2-thienyl)ethyl]ammonium Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H26N4O3S/c1-22(2)18(19-7-6-12-28-19)14-21-20(25)15-8-9-16(17(13-15)24(26)27)23-10-4-3-5-11-23/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1