1-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-6-oxohexyl]urea IUPAC Name: [6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-oxohexyl]urea Traditional Name: [6-keto-6-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]hexyl]urea Formula: C19H31N4O2+ MolecularWeight: 347.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCCCCNC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C19H30N4O2/c1-16-6-5-7-17(14-16)15-22-10-12-23(13-11-22)18(24)8-3-2-4-9-21-19(20)25/h5-7,14H,2-4,8-13,15H2,1H3,(H3,20,21,25)/p+1