2-methyl-3-[piperidin-1-ium-1-yl(pyridin-1-ium-3-yl)methyl]-1H-indole

Systemtic Name: 2-methyl-3-[piperidin-1-ium-1-yl(pyridin-1-ium-3-yl)methyl]-1H-indole Openeye Name: 2-methyl-3-[piperidin-1-ium-1-yl(pyridin-1-ium-3-yl)methyl]-1H-indole CAS Name: 2-methyl-3-[1-piperidin-1-iumyl(3-pyridin-1-iumyl)methyl]-1H-indole IUPAC Name: 2-methyl-3-[piperidin-1-ium-1-yl(pyridin-1-ium-3-yl)methyl]-1H-indole Traditional Name: 2-methyl-3-[piperidin-1-ium-1-yl(pyridin-1-ium-3-yl)methyl]-1H-indole Formula: C20H25N3+2 MolecularWeight: 307.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=C[NH+]=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=C[NH+]=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C20H23N3/c1-15-19(17-9-3-4-10-18(17)22-15)20(16-8-7-11-21-14-16)23-12-5-2-6-13-23/h3-4,7-11,14,20,22H,2,5-6,12-13H2,1H3/p+2