3-(4-butyl-1-prop-2-enyl-1-propyl-4H-pyridin-1-ium-3-yl)phenol

Systemtic Name: 3-(4-butyl-1-prop-2-enyl-1-propyl-4H-pyridin-1-ium-3-yl)phenol Openeye Name: 3-(1-allyl-4-butyl-1-propyl-4H-pyridin-1-ium-3-yl)phenol CAS Name: 3-(4-butyl-1-prop-2-enyl-1-propyl-4H-pyridin-1-ium-3-yl)phenol IUPAC Name: 3-(4-butyl-1-prop-2-enyl-1-propyl-4H-pyridin-1-ium-3-yl)phenol Traditional Name: 3-(1-allyl-4-butyl-1-propyl-4H-pyridin-1-ium-3-yl)phenol Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C[N+](C=C1C2=CC(=CC=C2)O)(CCC)CC=C

Isomeric SMILES

CCCCC1C=C[N+](C=C1C2=CC(=CC=C2)O)(CCC)CC=C

InChI

InChI=1S/C21H29NO/c1-4-7-9-18-12-15-22(13-5-2,14-6-3)17-21(18)19-10-8-11-20(23)16-19/h5,8,10-12,15-18H,2,4,6-7,9,13-14H2,1,3H3/p+1