methyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[methyl-[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]butyric acid methyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC(=O)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC(=O)OC

InChI

InChI=1S/C19H28N2O3/c1-20(18(22)10-11-19(23)24-2)17-9-6-13-21(15-17)14-12-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3/p+1/t17-/m0/s1