butyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: butyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: butyl-[(1R)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: butyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: butyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: butyl-[(1R)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C)C(=O)C1=C(C(=C(N1)C)C(=O)OC)C

Isomeric SMILES

CCCC[NH+](C)[C@H](C)C(=O)C1=C(C(=C(N1)C)C(=O)OC)C

InChI

InChI=1S/C16H26N2O3/c1-7-8-9-18(5)12(4)15(19)14-10(2)13(11(3)17-14)16(20)21-6/h12,17H,7-9H2,1-6H3/p+1/t12-/m1/s1