N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-2-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-ethoxyphenyl)-6-methyl-2-(2-pyridin-1-iumylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-N-o-phenetyl-2-(pyridin-1-ium-2-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C)NCC4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C24H27N3O2S/c1-3-29-20-10-5-4-9-19(20)27-23(28)22-18-12-11-16(2)14-21(18)30-24(22)26-15-17-8-6-7-13-25-17/h4-10,13,16,26H,3,11-12,14-15H2,1-2H3,(H,27,28)/p+1