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

Systemtic Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenyl-urea CAS Name: 1-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-phenylurea IUPAC Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenylurea Traditional Name: 1-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]-3-phenyl-urea Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O/c1-22-9-11-23(12-10-22)17-8-7-15(13-19-17)14-20-18(24)21-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,20,21,24)/p+1