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

Systemtic Name: [(2S)-2-(4-chloranyl-3-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-chloro-3-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-chloro-3-nitrophenyl)-2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-chloro-3-nitrophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-chloro-3-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium Formula: C14H22ClN3O2+2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClN3O2/c1-10-4-6-17(7-5-10)14(9-16)11-2-3-12(15)13(8-11)18(19)20/h2-3,8,10,14H,4-7,9,16H2,1H3/p+2/t14-/m1/s1