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

Systemtic Name: 1-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]-3-(4-nitrophenyl)urea Openeye Name: 1-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]-3-(4-nitrophenyl)urea CAS Name: 1-[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]-3-(4-nitrophenyl)urea Traditional Name: 1-[6-(4-methylpiperazino)pyridin-1-ium-3-yl]-3-(4-nitrophenyl)urea Formula: C17H21N6O3+ MolecularWeight: 357.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O3/c1-21-8-10-22(11-9-21)16-7-4-14(12-18-16)20-17(24)19-13-2-5-15(6-3-13)23(25)26/h2-7,12H,8-11H2,1H3,(H2,19,20,24)/p+1