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

Systemtic Name: ethyl 4-[[3-[1-(4-methylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-[[1-(4-methylbenzoyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-[[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[(1-p-toluoyl-4-piperidyl)oxy]benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C27H36N3O4+ MolecularWeight: 466.59244

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4/c1-3-33-27(32)30-17-15-28(16-18-30)20-22-5-4-6-25(19-22)34-24-11-13-29(14-12-24)26(31)23-9-7-21(2)8-10-23/h4-10,19,24H,3,11-18,20H2,1-2H3/p+1