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

Systemtic Name: (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-methyl-2-(2-pyridyl)thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-methyl-2-(2-pyridinyl)-5-thiazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-methyl-2-(2-pyridyl)thiazol-5-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C20H29N5OS+2 MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C20H27N5OS/c1-16-18(27-19(22-16)17-6-2-3-7-21-17)20(26)25-14-12-24(13-15-25)11-10-23-8-4-5-9-23/h2-3,6-7H,4-5,8-15H2,1H3/p+2