ethyl 4-[4-(3-oxidanylidene-3-phenylazanyl-propyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-oxidanylidene-3-phenylazanyl-propyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(3-anilino-3-oxo-propyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(3-anilino-3-oxopropyl)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-anilino-3-keto-propyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-2-28-22(27)25-16-12-20(13-17-25)24-14-10-18(11-15-24)8-9-21(26)23-19-6-4-3-5-7-19/h3-7,18,20H,2,8-17H2,1H3,(H,23,26)/p+1