(3Z)-1-(azepan-1-ium-1-ylmethyl)-6-chloranyl-3-[(1-methylindol-3-yl)methylidene]indol-2-one

Systemtic Name: (3Z)-1-(azepan-1-ium-1-ylmethyl)-6-chloranyl-3-[(1-methylindol-3-yl)methylidene]indol-2-one Openeye Name: (3Z)-1-(azepan-1-ium-1-ylmethyl)-6-chloro-3-[(1-methylindol-3-yl)methylene]indolin-2-one CAS Name: (3Z)-1-(1-azepan-1-iumylmethyl)-6-chloro-3-[(1-methyl-3-indolyl)methylidene]-2-indolone IUPAC Name: (3Z)-1-(azepan-1-ium-1-ylmethyl)-6-chloro-3-[(1-methylindol-3-yl)methylidene]indol-2-one Traditional Name: (3Z)-1-(azepan-1-ium-1-ylmethyl)-6-chloro-3-[(1-methylindol-3-yl)methylene]oxindole Formula: C25H27ClN3O+ MolecularWeight: 420.95438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=C(C=C4)Cl)N(C3=O)C[NH+]5CCCCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=C(C=C4)Cl)N(C3=O)C[NH+]5CCCCCC5

InChI

InChI=1S/C25H26ClN3O/c1-27-16-18(20-8-4-5-9-23(20)27)14-22-21-11-10-19(26)15-24(21)29(25(22)30)17-28-12-6-2-3-7-13-28/h4-5,8-11,14-16H,2-3,6-7,12-13,17H2,1H3/p+1/b22-14-