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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(p-tolyl)thiazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-methylphenyl)-4-thiazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(p-tolyl)thiazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C21H30N4OS+2 MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C21H28N4OS/c1-17-4-6-18(7-5-17)20-22-19(16-27-20)21(26)25-14-12-24(13-15-25)11-10-23-8-2-3-9-23/h4-7,16H,2-3,8-15H2,1H3/p+2