(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C22H33N3O3S+2 MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC)OC

InChI

InChI=1S/C22H31N3O3S/c1-17-12-20(27-3)21(28-4)13-18(17)14-23(2)16-22(26)25-9-7-24(8-10-25)15-19-6-5-11-29-19/h5-6,11-13H,7-10,14-16H2,1-4H3/p+2