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

Systemtic Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-(1-azepan-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2OS/c25-21(17-10-4-3-5-11-17)23-22-19(16-24-14-8-1-2-9-15-24)18-12-6-7-13-20(18)26-22/h3-5,10-11H,1-2,6-9,12-16H2,(H,23,25)/p+1