2-chloranyl-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-4-nitro-aniline CAS Name: 2-chloro-N-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]amine Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H20ClN3O2/c1-11-4-2-3-8-17(11)9-7-16-14-6-5-12(18(19)20)10-13(14)15/h5-6,10-11,16H,2-4,7-9H2,1H3/p+1/t11-/m0/s1