(3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-methyl-veratryl-ammonium Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3O3S/c1-22(14-17-6-7-19(26-2)20(13-17)27-3)16-21(25)24-10-8-23(9-11-24)15-18-5-4-12-28-18/h4-7,12-13H,8-11,14-16H2,1-3H3/p+2