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

Systemtic Name: 1-[(2S)-3-methyl-1-oxidanylidene-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butan-2-yl]urea Openeye Name: [(1S)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea CAS Name: [(2S)-3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]butan-2-yl]urea IUPAC Name: [(2S)-3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butan-2-yl]urea Traditional Name: [(1S)-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C(C)C)NC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)N

InChI

InChI=1S/C20H32N4O2/c1-14(2)17-7-5-16(6-8-17)13-23-9-11-24(12-10-23)19(25)18(15(3)4)22-20(21)26/h5-8,14-15,18H,9-13H2,1-4H3,(H3,21,22,26)/p+1/t18-/m0/s1