2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]-1H-indole

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]-1H-indole Openeye Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]-1H-indole CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)-(3-pyridin-1-iumyl)methyl]-1H-indole IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-ylmethyl]-1H-indole Traditional Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]-1H-indole Formula: C20H27N4+3 MolecularWeight: 323.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=C[NH+]=CC=C3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=C[NH+]=CC=C3)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C20H24N4/c1-15-19(17-7-3-4-8-18(17)22-15)20(16-6-5-9-21-14-16)24-12-10-23(2)11-13-24/h3-9,14,20,22H,10-13H2,1-2H3/p+3