ethyl 4-[[4-(phenylcarbamoyl)phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-(phenylcarbamoyl)phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-(phenylcarbamoyl)phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-[anilino(oxo)methyl]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(phenylcarbamoyl)phenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-(phenylcarbamoyl)benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-2-27-21(26)24-14-12-23(13-15-24)16-17-8-10-18(11-9-17)20(25)22-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,22,25)/p+1