4-oxidanyl-4-oxidanylidene-butanoate; 6-(4-piperidin-1-ium-1-ylphenyl)hexan-1-amine

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; 6-(4-piperidin-1-ium-1-ylphenyl)hexan-1-amine Openeye Name: 4-hydroxy-4-oxo-butanoate; 6-(4-piperidin-1-ium-1-ylphenyl)hexan-1-amine CAS Name: 4-hydroxy-4-oxobutanoate; 6-[4-(1-piperidin-1-iumyl)phenyl]-1-hexanamine IUPAC Name: 4-hydroxy-4-oxobutanoate; 6-(4-piperidin-1-ium-1-ylphenyl)hexan-1-amine Traditional Name: 4-hydroxy-4-keto-butyrate; 6-(4-piperidin-1-ium-1-ylphenyl)hexylamine Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=CC=C(C=C2)CCCCCCN.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](CC1)C2=CC=C(C=C2)CCCCCCN.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C17H28N2.C4H6O4/c18-13-5-2-1-4-8-16-9-11-17(12-10-16)19-14-6-3-7-15-19;5-3(6)1-2-4(7)8/h9-12H,1-8,13-15,18H2;1-2H2,(H,5,6)(H,7,8)