[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-p-anisyl-ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](CC1=CC=C(C=C1)OC)C2CC2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+](CC1=CC=C(C=C1)OC)C2CC2

InChI

InChI=1S/C18H27N3O3/c1-4-13(2)19-18(23)20-17(22)12-21(15-7-8-15)11-14-5-9-16(24-3)10-6-14/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3,(H2,19,20,22,23)/p+1/t13-/m0/s1