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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC(=C(C=C2)OC)OC)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC(=C(C=C2)OC)OC)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

InChI

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