1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-nitrophenyl)urea CAS Name: 1-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(3-nitrophenyl)urea Formula: C18H23N6O3+ MolecularWeight: 371.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-22-7-9-23(10-8-22)17-6-5-14(12-19-17)13-20-18(25)21-15-3-2-4-16(11-15)24(26)27/h2-6,11-12H,7-10,13H2,1H3,(H2,20,21,25)/p+1