N-[(S)-(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(S)-(2-methyl-1H-indol-3-yl)-[4-(methylthio)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [(S)-(2-methyl-1H-indol-3-yl)-[4-(methylthio)phenyl]methyl]-pyridin-1-ium-2-yl-amine Formula: C22H22N3S+ MolecularWeight: 360.49518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)SC)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=C(C=C3)SC)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21N3S/c1-15-21(18-7-3-4-8-19(18)24-15)22(25-20-9-5-6-14-23-20)16-10-12-17(26-2)13-11-16/h3-14,22,24H,1-2H3,(H,23,25)/p+1/t22-/m0/s1