[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c1-18-8-2-3-16(18)13-19-9-11-20(12-10-19)17(22)14-4-6-15(7-5-14)21(23)24/h2-8H,9-13H2,1H3/p+1