(4-chloranyl-3-nitro-phenyl)-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-chloro-3-nitro-phenyl)-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: (4-chloro-3-nitrophenyl)-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]ammonium IUPAC Name: (4-chloro-3-nitrophenyl)-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium Traditional Name: (4-chloro-3-nitro-phenyl)-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH2+]C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O3/c1-10-3-2-6-17(9-10)14(19)8-16-11-4-5-12(15)13(7-11)18(20)21/h4-5,7,10,16H,2-3,6,8-9H2,1H3/p+1/t10-/m0/s1