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

Systemtic Name: 1-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]urea CAS Name: 1-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]urea Traditional Name: 1-benzyl-3-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]urea Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2/c1-19(2)22-10-8-21(9-11-22)18-27-12-14-28(15-13-27)23(29)17-26-24(30)25-16-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H2,25,26,30)/p+1