[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl] ester Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C24H25N3O4/c28-23(25-21-7-3-19(4-8-21)17-26-13-15-30-16-14-26)18-31-24(29)20-5-9-22(10-6-20)27-11-1-2-12-27/h1-12H,13-18H2,(H,25,28)/p+1