[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-6-13(3)18-17(22)19-16(21)11-20(4)10-14-9-12(2)7-8-15(14)23-5/h7-9,13H,6,10-11H2,1-5H3,(H2,18,19,21,22)/p+1/t13-/m0/s1