methyl-(phenylmethyl)-[3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)propyl]azanium Openeye Name: benzyl-methyl-[3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)propyl]ammonium CAS Name: methyl-[3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)propyl]azanium Traditional Name: benzyl-methyl-[3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)propyl]ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CSC2=C1CCCC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CSC2=C1CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2OS/c1-22(14-16-8-3-2-4-9-16)13-7-12-21-20(23)18-15-24-19-11-6-5-10-17(18)19/h2-4,8-9,15H,5-7,10-14H2,1H3,(H,21,23)/p+1