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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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