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

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-18-8-5-6-14-26(18)15-7-13-24-23(28)20-11-12-21(22(16-20)27(29)30)25-17-19-9-3-2-4-10-19/h2-4,9-12,16,18,25H,5-8,13-15,17H2,1H3,(H,24,28)/p+1/t18-/m0/s1