3-[1-(2,3-dimethylheptyl)-2,4-dimethyl-5-propyl-piperidin-1-ium-1-yl]phenol

Systemtic Name: 3-[1-(2,3-dimethylheptyl)-2,4-dimethyl-5-propyl-piperidin-1-ium-1-yl]phenol Openeye Name: 3-[1-(2,3-dimethylheptyl)-2,4-dimethyl-5-propyl-piperidin-1-ium-1-yl]phenol CAS Name: 3-[1-(2,3-dimethylheptyl)-2,4-dimethyl-5-propyl-1-piperidin-1-iumyl]phenol IUPAC Name: 3-[1-(2,3-dimethylheptyl)-2,4-dimethyl-5-propylpiperidin-1-ium-1-yl]phenol Traditional Name: 3-[1-(2,3-dimethylheptyl)-2,4-dimethyl-5-propyl-piperidin-1-ium-1-yl]phenol Formula: C25H44NO+ MolecularWeight: 374.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C)C[N+]1(CC(C(CC1C)C)CCC)C2=CC(=CC=C2)O

Isomeric SMILES

CCCCC(C)C(C)C[N+]1(CC(C(CC1C)C)CCC)C2=CC(=CC=C2)O

InChI

InChI=1S/C25H43NO/c1-7-9-12-19(3)21(5)17-26(24-13-10-14-25(27)16-24)18-23(11-8-2)20(4)15-22(26)6/h10,13-14,16,19-23H,7-9,11-12,15,17-18H2,1-6H3/p+1