1-(2-cyclohex-3-en-1-ylethyl)-4-pyridin-2-yl-1-thiophen-2-yl-piperazin-1-ium

Systemtic Name: 1-(2-cyclohex-3-en-1-ylethyl)-4-pyridin-2-yl-1-thiophen-2-yl-piperazin-1-ium Openeye Name: 1-(2-cyclohex-3-en-1-ylethyl)-4-(2-pyridyl)-1-(2-thienyl)piperazin-1-ium CAS Name: 1-[2-(1-cyclohex-3-enyl)ethyl]-4-(2-pyridinyl)-1-thiophen-2-ylpiperazin-1-ium IUPAC Name: 1-(2-cyclohex-3-en-1-ylethyl)-4-pyridin-2-yl-1-thiophen-2-ylpiperazin-1-ium Traditional Name: 1-(2-cyclohex-3-en-1-ylethyl)-4-(2-pyridyl)-1-(2-thienyl)piperazin-1-ium Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CC[N+]2(CCN(CC2)C3=CC=CC=N3)C4=CC=CS4

Isomeric SMILES

C1CC(CC=C1)CC[N+]2(CCN(CC2)C3=CC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C21H28N3S/c1-2-7-19(8-3-1)11-15-24(21-10-6-18-25-21)16-13-23(14-17-24)20-9-4-5-12-22-20/h1-2,4-6,9-10,12,18-19H,3,7-8,11,13-17H2/q+1