2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-23(2)13-12-21-19(25)17-15-10-6-7-11-16(15)26-20(17)22-18(24)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,21,25)(H,22,24)/p+1