methyl 1-(3-azanyl-3-oxidanylidene-propyl)-1-methyl-2-piperidin-4-yl-indol-1-ium-3-carboxylate

Systemtic Name: methyl 1-(3-azanyl-3-oxidanylidene-propyl)-1-methyl-2-piperidin-4-yl-indol-1-ium-3-carboxylate Openeye Name: methyl 1-(3-amino-3-oxo-propyl)-1-methyl-2-(4-piperidyl)indol-1-ium-3-carboxylate CAS Name: 1-(3-amino-3-oxopropyl)-1-methyl-2-(4-piperidinyl)-3-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(3-amino-3-oxopropyl)-1-methyl-2-piperidin-4-ylindol-1-ium-3-carboxylate Traditional Name: 1-(3-amino-3-keto-propyl)-1-methyl-2-(4-piperidyl)indol-1-ium-3-carboxylic acid methyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C(=C1C3CCNCC3)C(=O)OC)CCC(=O)N

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C(=C1C3CCNCC3)C(=O)OC)CCC(=O)N

InChI

InChI=1S/C19H25N3O3/c1-22(12-9-16(20)23)15-6-4-3-5-14(15)17(19(24)25-2)18(22)13-7-10-21-11-8-13/h3-6,13,21H,7-12H2,1-2H3,(H-,20,23)/p+1