[[(3R)-1-[(2-methoxycarbonyl-6-nitro-phenyl)methyl]piperidin-3-yl]carbonylamino]methylidene-dimethyl-azanium

Systemtic Name: [[(3R)-1-[(2-methoxycarbonyl-6-nitro-phenyl)methyl]piperidin-3-yl]carbonylamino]methylidene-dimethyl-azanium Openeye Name: [[(3R)-1-[(2-methoxycarbonyl-6-nitro-phenyl)methyl]piperidine-3-carbonyl]amino]methylene-dimethyl-ammonium CAS Name: [[[(3R)-1-[(2-methoxycarbonyl-6-nitrophenyl)methyl]-3-piperidinyl]-oxomethyl]amino]methylidene-dimethylammonium IUPAC Name: [[(3R)-1-[(2-methoxycarbonyl-6-nitrophenyl)methyl]piperidine-3-carbonyl]amino]methylidene-dimethylazanium Traditional Name: [[(3R)-1-(2-carbomethoxy-6-nitro-benzyl)nipecotoyl]amino]methylene-dimethyl-ammonium Formula: C18H25N4O5+ MolecularWeight: 377.4149

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CNC(=O)C1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

C[N+](=CNC(=O)[C@@H]1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C18H24N4O5/c1-20(2)12-19-17(23)13-6-5-9-21(10-13)11-15-14(18(24)27-3)7-4-8-16(15)22(25)26/h4,7-8,12-13H,5-6,9-11H2,1-3H3/p+1/t13-/m1/s1