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

Systemtic Name: 4-bromanyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitro-aniline Openeye Name: 4-bromo-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitro-aniline CAS Name: 4-bromo-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-nitroaniline IUPAC Name: 4-bromo-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitroaniline Traditional Name: (4-bromo-2-nitro-phenyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]amine Formula: C15H23BrN3O2+ MolecularWeight: 357.26602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O2/c1-12-5-2-3-9-18(12)10-4-8-17-14-7-6-13(16)11-15(14)19(20)21/h6-7,11-12,17H,2-5,8-10H2,1H3/p+1/t12-/m0/s1