[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C27H34N3O2S+ MolecularWeight: 464.64276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N3O2S/c1-22-8-13-26(33-22)20-28(15-14-23-6-4-3-5-7-23)21-27(31)30-18-16-29(17-19-30)24-9-11-25(32-2)12-10-24/h3-13H,14-21H2,1-2H3/p+1