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

Systemtic Name: 4-tert-butyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-tert-butyl-N-[3-(1-pyrrolidin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C24H33N2OS+ MolecularWeight: 397.59662

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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+]4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C[NH+]4CCCC4

InChI

InChI=1S/C24H32N2OS/c1-24(2,3)18-12-10-17(11-13-18)22(27)25-23-20(16-26-14-6-7-15-26)19-8-4-5-9-21(19)28-23/h10-13H,4-9,14-16H2,1-3H3,(H,25,27)/p+1