2-[(S)-(2-methyl-1H-indol-3-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]phenol

Systemtic Name: 2-[(S)-(2-methyl-1H-indol-3-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]phenol Openeye Name: 2-[(S)-(2-methyl-1H-indol-3-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]phenol CAS Name: 2-[(S)-(2-methyl-1H-indol-3-yl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]phenol IUPAC Name: 2-[(S)-(2-methyl-1H-indol-3-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]phenol Traditional Name: 2-[(S)-(2-methyl-1H-indol-3-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]phenol Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC=CC=C2O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@H](C2=CC=CC=C2O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3O/c1-14-11-12-23-20(13-14)25-22(17-8-4-6-10-19(17)26)21-15(2)24-18-9-5-3-7-16(18)21/h3-13,22,24,26H,1-2H3,(H,23,25)/p+1/t22-/m1/s1