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

Systemtic Name: 2-[4-[(2,4-diphenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(2,4-diphenylthiazole-5-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(2,4-diphenyl-5-thiazolyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(2,4-diphenylthiazole-5-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2S/c32-23(30-14-8-3-9-15-30)20-29-16-18-31(19-17-29)27(33)25-24(21-10-4-1-5-11-21)28-26(34-25)22-12-6-2-7-13-22/h1-2,4-7,10-13H,3,8-9,14-20H2/p+1