2-[1-[2-(4-azanyl-2,3,5-trimethyl-phenoxy)-1-methyl-piperidin-1-ium-1-yl]propoxy]phenol

Systemtic Name: 2-[1-[2-(4-azanyl-2,3,5-trimethyl-phenoxy)-1-methyl-piperidin-1-ium-1-yl]propoxy]phenol Openeye Name: 2-[1-[2-(4-amino-2,3,5-trimethyl-phenoxy)-1-methyl-piperidin-1-ium-1-yl]propoxy]phenol CAS Name: 2-[1-[2-(4-amino-2,3,5-trimethylphenoxy)-1-methyl-1-piperidin-1-iumyl]propoxy]phenol IUPAC Name: 2-[1-[2-(4-amino-2,3,5-trimethylphenoxy)-1-methylpiperidin-1-ium-1-yl]propoxy]phenol Traditional Name: 2-[1-[2-(4-amino-2,3,5-trimethyl-phenoxy)-1-methyl-piperidin-1-ium-1-yl]propoxy]phenol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+]1(CCCCC1OC2=C(C(=C(C(=C2)C)N)C)C)C)OC3=CC=CC=C3O

Isomeric SMILES

CCC([N+]1(CCCCC1OC2=C(C(=C(C(=C2)C)N)C)C)C)OC3=CC=CC=C3O

InChI

InChI=1S/C24H34N2O3/c1-6-22(28-20-12-8-7-11-19(20)27)26(5)14-10-9-13-23(26)29-21-15-16(2)24(25)18(4)17(21)3/h7-8,11-12,15,22-23H,6,9-10,13-14,25H2,1-5H3/p+1