2-[4-cyclohex-3-en-1-yl-1-(phenylmethyl)piperazin-1-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-cyclohex-3-en-1-yl-1-(phenylmethyl)piperazin-1-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-(1-benzyl-4-cyclohex-3-en-1-yl-piperazin-1-ium-1-yl)-1,3-benzothiazole CAS Name: 2-[4-(1-cyclohex-3-enyl)-1-(phenylmethyl)-1-piperazin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-(1-benzyl-4-cyclohex-3-en-1-ylpiperazin-1-ium-1-yl)-1,3-benzothiazole Traditional Name: 2-(1-benzyl-4-cyclohex-3-en-1-yl-piperazin-1-ium-1-yl)-1,3-benzothiazole Formula: C24H28N3S+ MolecularWeight: 390.56422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)N2CC[N+](CC2)(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CC=C1)N2CC[N+](CC2)(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N3S/c1-3-9-20(10-4-1)19-27(24-25-22-13-7-8-14-23(22)28-24)17-15-26(16-18-27)21-11-5-2-6-12-21/h1-5,7-10,13-14,21H,6,11-12,15-19H2/q+1