[4-[4-[2-[4-(1,2-dihydroacenaphthylen-1-yl)piperazine-1,4-diium-1-yl]ethyl]phenyl]-1,3-thiazol-2-yl]-prop-2-enyl-azanium trichloride

Systemtic Name: [4-[4-[2-[4-(1,2-dihydroacenaphthylen-1-yl)piperazine-1,4-diium-1-yl]ethyl]phenyl]-1,3-thiazol-2-yl]-prop-2-enyl-azanium trichloride Openeye Name: allyl-[4-[4-[2-[4-(1,2-dihydroacenaphthylen-1-yl)piperazine-1,4-diium-1-yl]ethyl]phenyl]thiazol-2-yl]ammonium trichloride CAS Name: [4-[4-[2-[4-(1,2-dihydroacenaphthylen-1-yl)-1-piperazine-1,4-diiumyl]ethyl]phenyl]-2-thiazolyl]-prop-2-enylammonium trichloride IUPAC Name: [4-[4-[2-[4-(1,2-dihydroacenaphthylen-1-yl)piperazine-1,4-diium-1-yl]ethyl]phenyl]-1,3-thiazol-2-yl]-prop-2-enylazanium trichloride Traditional Name: [4-[4-[2-(4-acenaphthen-1-ylpiperazine-1,4-diium-1-yl)ethyl]phenyl]thiazol-2-yl]-allyl-ammonium trichloride Formula: C30H35Cl3N4S MolecularWeight: 590.0497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]C1=NC(=CS1)C2=CC=C(C=C2)CC[NH+]3CC[NH+](CC3)C4CC5=CC=CC6=C5C4=CC=C6.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C=CC[NH2+]C1=NC(=CS1)C2=CC=C(C=C2)CC[NH+]3CC[NH+](CC3)C4CC5=CC=CC6=C5C4=CC=C6.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C30H32N4S.3ClH/c1-2-14-31-30-32-27(21-35-30)23-11-9-22(10-12-23)13-15-33-16-18-34(19-17-33)28-20-25-7-3-5-24-6-4-8-26(28)29(24)25;;;/h2-12,21,28H,1,13-20H2,(H,31,32);3*1H