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

Systemtic Name: 1-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]urea Openeye Name: [(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]urea CAS Name: [(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]urea IUPAC Name: [(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]urea Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C17H26N4O2/c1-13(2)15(19-17(18)23)16(22)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H3,18,19,23)/p+1/t15-/m0/s1