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

Systemtic Name: 1-[(2S,3S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]urea Openeye Name: [(1S,2S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-butyl]urea CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentan-2-yl]urea IUPAC Name: [(2S,3S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxopentan-2-yl]urea Traditional Name: [(1S,2S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-butyl]urea Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-3-14(2)16(20-18(19)24)17(23)22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H3,19,20,24)/p+1/t14-,16-/m0/s1