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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-methyl-ammonium Formula: C16H25BrN3O3+ MolecularWeight: 387.292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O3/c1-5-11(2)18-16(22)19-15(21)10-20(3)9-12-8-13(17)6-7-14(12)23-4/h6-8,11H,5,9-10H2,1-4H3,(H2,18,19,21,22)/p+1/t11-/m0/s1