[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-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=CSC=C3

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CSC=C3

InChI

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