3-chloranyl-1-(1,1-dimethyl-6-oxidanyl-benzo[e]indol-3-ium-3-yl)propan-1-one

Systemtic Name: 3-chloranyl-1-(1,1-dimethyl-6-oxidanyl-benzo[e]indol-3-ium-3-yl)propan-1-one Openeye Name: 3-chloro-1-(6-hydroxy-1,1-dimethyl-benzo[e]indol-3-ium-3-yl)propan-1-one CAS Name: 3-chloro-1-(6-hydroxy-1,1-dimethyl-3-benzo[e]indol-3-iumyl)-1-propanone IUPAC Name: 3-chloro-1-(6-hydroxy-1,1-dimethylbenzo[e]indol-3-ium-3-yl)propan-1-one Traditional Name: 3-chloro-1-(6-hydroxy-1,1-dimethyl-benz[e]indol-3-ium-3-yl)propan-1-one Formula: C17H17ClNO2+ MolecularWeight: 302.77538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=[N+](C2=C1C3=C(C=C2)C(=CC=C3)O)C(=O)CCCl)C

Isomeric SMILES

CC1(C=[N+](C2=C1C3=C(C=C2)C(=CC=C3)O)C(=O)CCCl)C

InChI

InChI=1S/C17H16ClNO2/c1-17(2)10-19(15(21)8-9-18)13-7-6-11-12(16(13)17)4-3-5-14(11)20/h3-7,10H,8-9H2,1-2H3/p+1