(4-methoxyphenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: [2-(isoamylcarbamoylamino)-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-13(2)9-10-18-17(22)19-16(21)12-20(3)11-14-5-7-15(23-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H2,18,19,21,22)/p+1