[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(2-thenyl)ammonium Formula: C21H32N2OS+2 MolecularWeight: 360.55658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CC=CS3

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CC=CS3

InChI

InChI=1S/C21H30N2OS/c1-22(17-21-4-3-15-25-21)16-19-10-13-23(14-11-19)12-9-18-5-7-20(24-2)8-6-18/h3-8,15,19H,9-14,16-17H2,1-2H3/p+2