1-[(4-methylphenyl)methyl]-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]urea

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]urea Openeye Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-(p-tolylmethyl)urea CAS Name: 1-[(4-methylphenyl)methyl]-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]urea IUPAC Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]urea Traditional Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-(4-methylbenzyl)urea Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-18-7-9-19(10-8-18)15-23-22(28)24-16-21(27)26-13-11-25(12-14-26)17-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H2,23,24,28)/p+1