[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)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-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-methyl-ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-5-11-24-16-9-7-15(8-10-16)12-21(4)13-17(22)20-18(23)19-14(3)6-2/h5,7-10,14H,1,6,11-13H2,2-4H3,(H2,19,20,22,23)/p+1/t14-/m0/s1