2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-propan-2-ylidene-1,3-thiazol-4-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-propan-2-ylidene-1,3-thiazol-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-isopropylidene-thiazol-4-one CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-propan-2-ylidene-4-thiazolone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-propan-2-ylidene-1,3-thiazol-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-isopropylidene-2-thiazolin-4-one Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(S1)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=C1C(=O)N=C(S1)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H21N3OS/c1-13(2)15-16(21)18-17(22-15)20-10-8-19(9-11-20)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3/p+1