N-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine Traditional Name: [(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]-pyridin-1-ium-2-yl-amine Formula: C22H20N3O2+ MolecularWeight: 358.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC4=C(C=C3)OCO4)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C22H19N3O2/c1-14-21(16-6-2-3-7-17(16)24-14)22(25-20-8-4-5-11-23-20)15-9-10-18-19(12-15)27-13-26-18/h2-12,22,24H,13H2,1H3,(H,23,25)/p+1/t22-/m0/s1