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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thienylmethyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thiophenylmethyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(3-thenyl)-3-piperidyl]ammonium Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=CSC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=CSC=C3

InChI

InChI=1S/C21H30N2O2S/c1-22(11-8-17-6-7-20(24-2)21(13-17)25-3)19-5-4-10-23(15-19)14-18-9-12-26-16-18/h6-7,9,12-13,16,19H,4-5,8,10-11,14-15H2,1-3H3/p+1/t19-/m0/s1