2-benzamido-6-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-benzamido-6-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-benzamido-6-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-benzamido-6-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-benzamido-6-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-benzamido-6-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC[NH+]3CCOCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC[NH+]3CCOCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-16-7-8-18-19(15-16)30-23(25-21(27)17-5-3-2-4-6-17)20(18)22(28)24-9-10-26-11-13-29-14-12-26/h2-6,16H,7-15H2,1H3,(H,24,28)(H,25,27)/p+1