1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-1-propyl-indol-1-ium-6-carboxamide

Systemtic Name: 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-1-propyl-indol-1-ium-6-carboxamide Openeye Name: 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-1-propyl-indol-1-ium-6-carboxamide CAS Name: 1-[(2-cyanophenyl)methyl]-3-(2-methyl-1-oxopropyl)-1-propyl-6-indol-1-iumcarboxamide IUPAC Name: 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-1-propylindol-1-ium-6-carboxamide Traditional Name: 1-(2-cyanobenzyl)-3-isobutyryl-1-propyl-indol-1-ium-6-carboxamide Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=C(C2=C1C=C(C=C2)C(=O)N)C(=O)C(C)C)CC3=CC=CC=C3C#N

Isomeric SMILES

CCC[N+]1(C=C(C2=C1C=C(C=C2)C(=O)N)C(=O)C(C)C)CC3=CC=CC=C3C#N

InChI

InChI=1S/C24H25N3O2/c1-4-11-27(14-19-8-6-5-7-18(19)13-25)15-21(23(28)16(2)3)20-10-9-17(24(26)29)12-22(20)27/h5-10,12,15-16H,4,11,14H2,1-3H3,(H-,26,29)/p+1