N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-aniline

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-aniline Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-aniline CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-nitroaniline IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitroaniline Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-(4-nitrophenyl)amine Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O2/c1-13-5-2-3-11-17(13)12-4-10-16-14-6-8-15(9-7-14)18(19)20/h6-9,13,16H,2-5,10-12H2,1H3/p+1/t13-/m0/s1