2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(5-ethanoylthiophen-3-yl)carbonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(5-ethanoylthiophen-3-yl)carbonylpiperidin-3-yl]-methyl-azanium Openeye Name: [(3S)-1-(5-acetylthiophene-3-carbonyl)-3-piperidyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [(3S)-1-[(5-acetyl-3-thiophenyl)-oxomethyl]-3-piperidinyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [(3S)-1-(5-acetylthiophene-3-carbonyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [(3S)-1-(5-acetylthiophene-3-carbonyl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O4S/c1-16(26)22-13-18(15-30-22)23(27)25-10-5-6-19(14-25)24(2)11-9-17-7-8-20(28-3)21(12-17)29-4/h7-8,12-13,15,19H,5-6,9-11,14H2,1-4H3/p+1/t19-/m0/s1