ethyl 4-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(5-phenylpentanoyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(1-oxo-5-phenylpentyl)-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(5-phenylpentanoyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-2-29-23(28)25-17-15-24(16-18-25)21-12-8-14-26(19-21)22(27)13-7-6-11-20-9-4-3-5-10-20/h3-5,9-10,21H,2,6-8,11-19H2,1H3/p+1/t21-/m0/s1