2-[(R)-(1-methyl-2-phenyl-indol-3-yl)-(pyridin-1-ium-2-ylamino)methyl]phenol

Systemtic Name: 2-[(R)-(1-methyl-2-phenyl-indol-3-yl)-(pyridin-1-ium-2-ylamino)methyl]phenol Openeye Name: 2-[(R)-(1-methyl-2-phenyl-indol-3-yl)-(pyridin-1-ium-2-ylamino)methyl]phenol CAS Name: 2-[(R)-(1-methyl-2-phenyl-3-indolyl)-(2-pyridin-1-iumylamino)methyl]phenol IUPAC Name: 2-[(R)-(1-methyl-2-phenylindol-3-yl)-(pyridin-1-ium-2-ylamino)methyl]phenol Traditional Name: 2-[(R)-(1-methyl-2-phenyl-indol-3-yl)-(pyridin-1-ium-2-ylamino)methyl]phenol Formula: C27H24N3O+ MolecularWeight: 406.49896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C4=CC=CC=C4O)NC5=CC=CC=[NH+]5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)[C@H](C4=CC=CC=C4O)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C27H23N3O/c1-30-22-15-7-5-13-20(22)25(27(30)19-11-3-2-4-12-19)26(21-14-6-8-16-23(21)31)29-24-17-9-10-18-28-24/h2-18,26,31H,1H3,(H,28,29)/p+1/t26-/m0/s1