(2-methoxy-5-methyl-phenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: [2-(isoamylcarbamoylamino)-2-keto-ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3/c1-13(2)8-9-19-18(23)20-17(22)12-21(4)11-15-10-14(3)6-7-16(15)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H2,19,20,22,23)/p+1