[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C22H30N4O2S/c1-17-20(29-21(23-17)18-5-7-19(28-2)8-6-18)22(27)26-15-13-25(14-16-26)12-11-24-9-3-4-10-24/h5-8H,3-4,9-16H2,1-2H3/p+2