(3-methyl-4-nitro-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-14-12-16(2-3-17(14)22(24)25)18(23)21-10-8-20(9-11-21)13-15-4-6-19-7-5-15/h2-7,12H,8-11,13H2,1H3/p+1