2-[4-[6-(3-hexoxyphenoxy)hexanoylamino]-1,1-dimethyl-piperidin-1-ium-4-yl]ethanoic acid

Systemtic Name: 2-[4-[6-(3-hexoxyphenoxy)hexanoylamino]-1,1-dimethyl-piperidin-1-ium-4-yl]ethanoic acid Openeye Name: 2-[4-[6-(3-hexoxyphenoxy)hexanoylamino]-1,1-dimethyl-piperidin-1-ium-4-yl]acetic acid CAS Name: 2-[4-[[6-(3-hexoxyphenoxy)-1-oxohexyl]amino]-1,1-dimethyl-4-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-[6-(3-hexoxyphenoxy)hexanoylamino]-1,1-dimethylpiperidin-1-ium-4-yl]acetic acid Traditional Name: 2-[4-[6-(3-hexoxyphenoxy)hexanoylamino]-1,1-dimethyl-piperidin-1-ium-4-yl]acetic acid Formula: C27H45N2O5+ MolecularWeight: 477.6566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)OCCCCCC(=O)NC2(CC[N+](CC2)(C)C)CC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)OCCCCCC(=O)NC2(CC[N+](CC2)(C)C)CC(=O)O

InChI

InChI=1S/C27H44N2O5/c1-4-5-6-9-19-33-23-12-11-13-24(21-23)34-20-10-7-8-14-25(30)28-27(22-26(31)32)15-17-29(2,3)18-16-27/h11-13,21H,4-10,14-20,22H2,1-3H3,(H-,28,30,31,32)/p+1