7-[(R)-[4-(dipropylamino)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-[4-(dipropylamino)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-[4-(dipropylamino)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-[4-(dipropylamino)phenyl]-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-[4-(dipropylamino)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-[4-(dipropylamino)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CCCN(CCC)C1=CC=C(C=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C27H30N4O/c1-3-18-31(19-4-2)22-13-10-21(11-14-22)25(30-24-9-5-6-16-28-24)23-15-12-20-8-7-17-29-26(20)27(23)32/h5-17,25,32H,3-4,18-19H2,1-2H3,(H,28,30)/p+1/t25-/m1/s1