(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

Systemtic Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine Openeye Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine CAS Name: (2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine IUPAC Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine Traditional Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-(2,3,4-trimethoxybenzyl)amine Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNCC2=C(C(=C(C=C2)OC)OC)OC)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNCC2=C(C(=C(C=C2)OC)OC)OC)C3=CC=CS3

InChI

InChI=1S/C22H32N2O3S/c1-16-9-11-24(12-10-16)18(20-6-5-13-28-20)15-23-14-17-7-8-19(25-2)22(27-4)21(17)26-3/h5-8,13,16,18,23H,9-12,14-15H2,1-4H3/p+1/t18-/m0/s1