[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c25-20(15-5-7-17(8-6-15)24(26)27)23-11-9-22(10-12-23)14-16-13-21-19-4-2-1-3-18(16)19/h1-8,13,21H,9-12,14H2/p+1