N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(3,4-dimethoxyphenyl)-(1-piperidin-1-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ium-1-ylmethyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide Formula: C27H33N2O3S+ MolecularWeight: 465.62752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)OC)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC(=C(C=C3)OC)OC)[NH+]4CCCCC4

InChI

InChI=1S/C27H32N2O3S/c1-4-21-18-22(27(33-21)28-26(30)19-11-7-5-8-12-19)25(29-15-9-6-10-16-29)20-13-14-23(31-2)24(17-20)32-3/h5,7-8,11-14,17-18,25H,4,6,9-10,15-16H2,1-3H3,(H,28,30)/p+1/t25-/m0/s1