N-hexyl-N-[(Z)-2-phenyl-1-pyridin-1-ium-4-yl-ethenyl]hexan-1-amine; propane-1-sulfonic acid

Systemtic Name: N-hexyl-N-[(Z)-2-phenyl-1-pyridin-1-ium-4-yl-ethenyl]hexan-1-amine; propane-1-sulfonic acid Openeye Name: N-hexyl-N-[(Z)-2-phenyl-1-pyridin-1-ium-4-yl-vinyl]hexan-1-amine; propane-1-sulfonic acid CAS Name: N-hexyl-N-[(Z)-2-phenyl-1-(4-pyridin-1-iumyl)ethenyl]-1-hexanamine; 1-propanesulfonic acid IUPAC Name: N-hexyl-N-[(Z)-2-phenyl-1-pyridin-1-ium-4-ylethenyl]hexan-1-amine; propane-1-sulfonic acid Traditional Name: dihexyl-[(Z)-2-phenyl-1-pyridin-1-ium-4-yl-vinyl]amine; propane-1-sulfonic acid Formula: C28H45N2O3S+ MolecularWeight: 489.7335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=CC1=CC=CC=C1)C2=CC=[NH+]C=C2.CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)/C(=C\C1=CC=CC=C1)/C2=CC=[NH+]C=C2.CCCS(=O)(=O)O

InChI

InChI=1S/C25H36N2.C3H8O3S/c1-3-5-7-12-20-27(21-13-8-6-4-2)25(24-16-18-26-19-17-24)22-23-14-10-9-11-15-23;1-2-3-7(4,5)6/h9-11,14-19,22H,3-8,12-13,20-21H2,1-2H3;2-3H2,1H3,(H,4,5,6)/p+1/b25-22-;