[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-methyl-ammonium Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)C(C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C18H29N3O2/c1-6-14(4)19-18(23)20-17(22)12-21(5)11-15-7-9-16(10-8-15)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H2,19,20,22,23)/p+1/t14-/m0/s1