[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-nitrophenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-(3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-nitrophenyl)ethyl]ammonium Formula: C14H23N3O2+2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-11-5-7-16(8-6-11)14(10-15)12-3-2-4-13(9-12)17(18)19/h2-4,9,11,14H,5-8,10,15H2,1H3/p+2/t14-/m1/s1