(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl-m-anisyl-methyl-ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+](C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+](C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H26N2O2S/c1-14(23)21-20-18(17-9-4-5-10-19(17)25-20)13-22(2)12-15-7-6-8-16(11-15)24-3/h6-8,11H,4-5,9-10,12-13H2,1-3H3,(H,21,23)/p+1