5-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(morpholin-4-ium-4-ylmethyl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(4-morpholin-4-iumylmethyl)anilino]-5-oxopentanoate IUPAC Name: 5-[4-(morpholin-4-ium-4-ylmethyl)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(morpholin-4-ium-4-ylmethyl)anilino]valerate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c19-15(2-1-3-16(20)21)17-14-6-4-13(5-7-14)12-18-8-10-22-11-9-18/h4-7H,1-3,8-12H2,(H,17,19)(H,20,21)