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

Systemtic Name: 4-bromanyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide Formula: C16H23BrN3O3+ MolecularWeight: 385.27612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O3/c1-12-5-2-3-9-19(12)10-4-8-18-16(21)13-6-7-14(17)15(11-13)20(22)23/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,21)/p+1/t12-/m0/s1