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

Systemtic Name: 4-tert-butyl-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-tert-butyl-N-[3-(1-piperidin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C25H35N2OS+ MolecularWeight: 411.6232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C[NH+]4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C[NH+]4CCCCC4

InChI

InChI=1S/C25H34N2OS/c1-25(2,3)19-13-11-18(12-14-19)23(28)26-24-21(17-27-15-7-4-8-16-27)20-9-5-6-10-22(20)29-24/h11-14H,4-10,15-17H2,1-3H3,(H,26,28)/p+1