4-[8-(phenylmethyl)acenaphthyleno[1,2-d][1,3]thiazol-9-ium-9-yl]butan-2-one

Systemtic Name: 4-[8-(phenylmethyl)acenaphthyleno[1,2-d][1,3]thiazol-9-ium-9-yl]butan-2-one Openeye Name: 4-(8-benzylacenaphthyleno[1,2-d]thiazol-9-ium-9-yl)butan-2-one CAS Name: 4-[8-(phenylmethyl)-9-acenaphthyleno[1,2-d]thiazol-9-iumyl]-2-butanone IUPAC Name: 4-(8-benzylacenaphthyleno[1,2-d][1,3]thiazol-9-ium-9-yl)butan-2-one Traditional Name: 4-(8-benzylacenaphtho[1,2-d]thiazol-9-ium-9-yl)butan-2-one Formula: C24H20NOS+ MolecularWeight: 370.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[N+]1=C(SC2=C1C3=CC=CC4=C3C2=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)CC[N+]1=C(SC2=C1C3=CC=CC4=C3C2=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H20NOS/c1-16(26)13-14-25-21(15-17-7-3-2-4-8-17)27-24-20-12-6-10-18-9-5-11-19(22(18)20)23(24)25/h2-12H,13-15H2,1H3/q+1