2-[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(2-methyl-4-phenyl-thiazole-5-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(2-methyl-4-phenyl-5-thiazolyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(2-methyl-4-phenyl-thiazole-5-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-17-23-20(18-8-4-2-5-9-18)21(29-17)22(28)26-14-12-24(13-15-26)16-19(27)25-10-6-3-7-11-25/h2,4-5,8-9H,3,6-7,10-16H2,1H3/p+1