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

Systemtic Name: 4-tert-butyl-N-[3-(morpholin-4-ium-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-(morpholin-4-ium-4-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-tert-butyl-N-[3-(4-morpholin-4-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(morpholin-4-ium-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-(morpholin-4-ium-4-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C24H33N2O2S+ MolecularWeight: 413.59602

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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+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C[NH+]4CCOCC4

InChI

InChI=1S/C24H32N2O2S/c1-24(2,3)18-10-8-17(9-11-18)22(27)25-23-20(16-26-12-14-28-15-13-26)19-6-4-5-7-21(19)29-23/h8-11H,4-7,12-16H2,1-3H3,(H,25,27)/p+1