N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-(1-piperidin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N2OS/c24-20(16-9-3-1-4-10-16)22-21-18(15-23-13-7-2-8-14-23)17-11-5-6-12-19(17)25-21/h1,3-4,9-10H,2,5-8,11-15H2,(H,22,24)/p+1