4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c22-21(26)15-5-6-16(20(11-15)25(27)28)13-24-9-7-14(8-10-24)18-12-23-19-4-2-1-3-17(18)19/h1-6,11-12,14,23H,7-10,13H2,(H2,22,26)/p+1