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

Systemtic Name: 7-[(R)-(4-prop-2-ynoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-prop-2-ynoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(4-prop-2-ynoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-prop-2-ynoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-(4-propargyloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C24H20N3O2+ MolecularWeight: 382.4345

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

C#CCOC1=CC=C(C=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C24H19N3O2/c1-2-16-29-19-11-8-18(9-12-19)22(27-21-7-3-4-14-25-21)20-13-10-17-6-5-15-26-23(17)24(20)28/h1,3-15,22,28H,16H2,(H,25,27)/p+1/t22-/m1/s1