ethyl 1-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[4-[oxo-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C28H38N3O3+ MolecularWeight: 464.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C28H37N3O3/c1-3-34-28(33)24-13-17-30(18-14-24)26-15-19-31(20-16-26)25-11-9-23(10-12-25)27(32)29-21(2)22-7-5-4-6-8-22/h4-12,21,24,26H,3,13-20H2,1-2H3,(H,29,32)/p+1/t21-/m1/s1