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

Systemtic Name: N-[(S)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(S)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(S)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine Traditional Name: [(S)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-pyridin-1-ium-2-yl-amine Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2/c1-15-22(17-8-4-5-9-18(17)25-15)23(26-21-10-6-7-13-24-21)16-11-12-19(27-2)20(14-16)28-3/h4-14,23,25H,1-3H3,(H,24,26)/p+1/t23-/m0/s1