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

Systemtic Name: 2-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-aniline CAS Name: 2-chloro-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]amine Formula: C15H23ClN3O2+ MolecularWeight: 312.81502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O2/c1-12-5-2-3-9-18(12)10-4-8-17-15-7-6-13(19(20)21)11-14(15)16/h6-7,11-12,17H,2-5,8-10H2,1H3/p+1/t12-/m0/s1