1-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-6-oxohexyl]urea IUPAC Name: [6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-oxohexyl]urea Traditional Name: [6-keto-6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]hexyl]urea Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCCCCNC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C19H30N4O2/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)18(24)9-3-2-6-10-21-19(20)25/h4-5,7-8H,2-3,6,9-15H2,1H3,(H3,20,21,25)/p+1