[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-4-27-22(26)20-17-11-10-15(2)12-18(17)28-21(20)23-19(25)14-24(3)13-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H,23,25)/p+1