[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[[4-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-keto-2-[[4-(morpholin-4-ium-4-ylmethyl)benzyl]amino]ethyl] ester Formula: C27H29N2O4+ MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c30-26(28-18-21-6-8-22(9-7-21)19-29-14-16-32-17-15-29)20-33-27(31)25-12-10-24(11-13-25)23-4-2-1-3-5-23/h1-13H,14-20H2,(H,28,30)/p+1