methyl 4-[4-(1-azidoethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate

Systemtic Name: methyl 4-[4-(1-azidoethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Openeye Name: methyl 4-[4-(1-azidoethyl)benzoyl]-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate CAS Name: 4-[[4-(1-azidoethyl)phenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1-azidoethyl)benzoyl]-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Traditional Name: 4-[4-(1-azidoethyl)benzoyl]-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylic acid methyl ester Formula: C22H22N5O4+ MolecularWeight: 420.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)N=[N+]=[N-]

InChI

InChI=1S/C22H22N5O4/c1-14(24-25-23)15-8-10-16(11-9-15)20(28)18-6-5-7-19-17(18)12-13-27(19,22(30)31-4)21(29)26(2)3/h5-14H,1-4H3/q+1