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

Systemtic Name: ethyl 4-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-4-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[1-[4-[oxo-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-4-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[1-[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-4-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C27H37N4O3+ MolecularWeight: 465.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C27H36N4O3/c1-3-34-27(33)31-19-17-30(18-20-31)25-13-15-29(16-14-25)24-11-9-23(10-12-24)26(32)28-21(2)22-7-5-4-6-8-22/h4-12,21,25H,3,13-20H2,1-2H3,(H,28,32)/p+1/t21-/m1/s1