2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[4-(2-thienyl)butanoyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1-oxo-4-thiophen-2-ylbutyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[4-(2-thienyl)butanoyl]-3-piperidyl]ammonium Formula: C24H35N2O3S+ MolecularWeight: 431.6113

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C24H34N2O3S/c1-25(15-13-19-11-12-22(28-2)23(17-19)29-3)20-7-5-14-26(18-20)24(27)10-4-8-21-9-6-16-30-21/h6,9,11-12,16-17,20H,4-5,7-8,10,13-15,18H2,1-3H3/p+1/t20-/m0/s1