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

Systemtic Name: N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-4-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-4-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-ethoxyphenyl)-6-methyl-2-(4-pyridin-1-iumylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-1-ium-4-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-N-o-phenetyl-2-(pyridin-1-ium-4-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=[NH+]C=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C)NCC4=CC=[NH+]C=C4

InChI

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