2-[2-[(E)-2-(2-chloranyl-4-methoxy-phenyl)ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-octyl-ethanamide

Systemtic Name: 2-[2-[(E)-2-(2-chloranyl-4-methoxy-phenyl)ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-octyl-ethanamide Openeye Name: 2-[2-[(E)-2-(2-chloro-4-methoxy-phenyl)vinyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-octyl-acetamide CAS Name: 2-[2-[(E)-2-(2-chloro-4-methoxyphenyl)ethenyl]-3,3-dimethyl-1-indol-1-iumyl]-N-octylacetamide IUPAC Name: 2-[2-[(E)-2-(2-chloro-4-methoxyphenyl)ethenyl]-3,3-dimethylindol-1-ium-1-yl]-N-octylacetamide Traditional Name: 2-[2-[(E)-2-(2-chloro-4-methoxy-phenyl)vinyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-octyl-acetamide Formula: C29H38ClN2O2+ MolecularWeight: 482.07722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C[N+]1=C(C(C2=CC=CC=C21)(C)C)C=CC3=C(C=C(C=C3)OC)Cl

Isomeric SMILES

CCCCCCCCNC(=O)C[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C3=C(C=C(C=C3)OC)Cl

InChI

InChI=1S/C29H37ClN2O2/c1-5-6-7-8-9-12-19-31-28(33)21-32-26-14-11-10-13-24(26)29(2,3)27(32)18-16-22-15-17-23(34-4)20-25(22)30/h10-11,13-18,20H,5-9,12,19,21H2,1-4H3/p+1/b18-16+