ethyl 4-[[3-[1-(4-phenylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-[1-(4-phenylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-[[1-(4-phenylbenzoyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-[[1-[oxo-(4-phenylphenyl)methyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[1-(4-phenylbenzoyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[[1-(4-phenylbenzoyl)-4-piperidyl]oxy]benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C32H38N3O4+ MolecularWeight: 528.66182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H37N3O4/c1-2-38-32(37)35-21-19-33(20-22-35)24-25-7-6-10-30(23-25)39-29-15-17-34(18-16-29)31(36)28-13-11-27(12-14-28)26-8-4-3-5-9-26/h3-14,23,29H,2,15-22,24H2,1H3/p+1