[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-methoxyphenyl)methyl-methyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-m-anisyl-methyl-ammonium Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-5-12(2)17-16(21)18-15(20)11-19(3)10-13-7-6-8-14(9-13)22-4/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,20,21)/p+1/t12-/m0/s1