3-[2-(4-methoxyphenyl)ethylcarbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-methoxyphenyl)ethylcarbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[2-(4-methoxyphenyl)ethylcarbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[2-(4-methoxyphenyl)ethylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[2-(4-methoxyphenyl)ethylthiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NCCC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H31N3OS/c1-24(2)16-7-17-25(18-20-8-5-4-6-9-20)22(27)23-15-14-19-10-12-21(26-3)13-11-19/h4-6,8-13H,7,14-18H2,1-3H3,(H,23,27)/p+1