1-cyclohexyl-3-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea Openeye Name: 1-cyclohexyl-3-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea CAS Name: 1-cyclohexyl-3-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]urea IUPAC Name: 1-cyclohexyl-3-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea Traditional Name: 1-cyclohexyl-3-[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]urea Formula: C20H32N5O2+ MolecularWeight: 374.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H31N5O2/c26-19(10-6-12-22-20(27)23-17-7-2-1-3-8-17)25-15-13-24(14-16-25)18-9-4-5-11-21-18/h4-5,9,11,17H,1-3,6-8,10,12-16H2,(H2,22,23,27)/p+1