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

Systemtic Name: dimethyl-[(1S)-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(3-nitro-4-pyrrolidino-benzoyl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C19H24N4O3S/c1-21(2)18(15-7-10-27-13-15)12-20-19(24)14-5-6-16(17(11-14)23(25)26)22-8-3-4-9-22/h5-7,10-11,13,18H,3-4,8-9,12H2,1-2H3,(H,20,24)/p+1/t18-/m1/s1