3,4-diethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: 3,4-diethoxy-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzamide CAS Name: 3,4-diethoxy-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3,4-diethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: 3,4-diethoxy-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)OCC

InChI

InChI=1S/C22H30N2O3S/c1-3-26-20-8-7-18(14-21(20)27-4-2)22(25)23-15-17-9-11-24(12-10-17)16-19-6-5-13-28-19/h5-8,13-14,17H,3-4,9-12,15-16H2,1-2H3,(H,23,25)/p+1