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

Systemtic Name: 1-[(2S,3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1S,2S)-2-methyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]butyl]urea CAS Name: [(2S,3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxopentan-2-yl]urea IUPAC Name: [(2S,3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxopentan-2-yl]urea Traditional Name: [(1S,2S)-2-methyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]butyl]urea Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2C)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2C)NC(=O)N

InChI

InChI=1S/C19H30N4O2/c1-4-14(2)17(21-19(20)25)18(24)23-11-9-22(10-12-23)13-16-8-6-5-7-15(16)3/h5-8,14,17H,4,9-13H2,1-3H3,(H3,20,21,25)/p+1/t14-,17-/m0/s1