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

Systemtic Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl-methyl-(p-tolylmethyl)ammonium CAS Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl-methyl-(4-methylbenzyl)ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C20H26N2OS/c1-14-8-10-16(11-9-14)12-22(3)13-18-17-6-4-5-7-19(17)24-20(18)21-15(2)23/h8-11H,4-7,12-13H2,1-3H3,(H,21,23)/p+1