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

Systemtic Name: 2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-pyridin-1-ium-3-yl-methyl]-1H-indole Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole CAS Name: 2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-(3-pyridin-1-iumyl)methyl]-1H-indole IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole Formula: C26H31N4+3 MolecularWeight: 399.55114

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=C[NH+]=CC=C3)[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4/c1-20-25(23-11-5-6-12-24(23)28-20)26(22-10-7-13-27-18-22)30-16-14-29(15-17-30)19-21-8-3-2-4-9-21/h2-13,18,26,28H,14-17,19H2,1H3/p+3