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

Systemtic Name: 1-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-2-methyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]propyl]urea CAS Name: [(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxobutan-2-yl]urea Traditional Name: [(1S)-2-methyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]propyl]urea Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(C(C)C)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)N

InChI

InChI=1S/C18H28N4O2/c1-13(2)16(20-18(19)24)17(23)22-10-8-21(9-11-22)12-15-7-5-4-6-14(15)3/h4-7,13,16H,8-12H2,1-3H3,(H3,19,20,24)/p+1/t16-/m0/s1