[1-(3-azanyl-3-oxidanylidene-propyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C2=CC=CC=C21)C(=O)OC3CCN(CC3)CCC(=O)N)C

Isomeric SMILES

C[N+]1(C=C(C2=CC=CC=C21)C(=O)OC3CCN(CC3)CCC(=O)N)C

InChI

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