N-[(S)-(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [(S)-(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]-pyridin-1-ium-2-yl-amine Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-15-22(17-9-5-6-10-18(17)26-15)23(27-21-11-7-8-12-25-21)16-13-19(28-2)24(30-4)20(14-16)29-3/h5-14,23,26H,1-4H3,(H,25,27)/p+1/t23-/m0/s1