4-propan-2-yloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: 4-propan-2-yloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: 4-isopropoxy-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzamide CAS Name: 4-propan-2-yloxy-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-propan-2-yloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: 4-isopropoxy-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H28N2O2S/c1-16(2)25-19-7-5-18(6-8-19)21(24)22-14-17-9-11-23(12-10-17)15-20-4-3-13-26-20/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,22,24)/p+1