1-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]urea

Systemtic Name: 1-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]urea Openeye Name: [3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]urea CAS Name: [3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: [3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]urea Traditional Name: [3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]urea Formula: C17H20N5O2+ MolecularWeight: 326.373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C17H19N5O2/c18-17(24)20-14-3-1-2-13(12-14)16(23)22-10-8-21(9-11-22)15-4-6-19-7-5-15/h1-7,12H,8-11H2,(H3,18,20,24)/p+1