(2-methyl-3-nitro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methyl-3-nitro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-methyl-3-nitro-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H18N4O3/c1-13-14(5-4-6-15(13)21(23)24)17(22)20-11-9-19(10-12-20)16-7-2-3-8-18-16/h2-8H,9-12H2,1H3/p+1