3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole Formula: C21H27N3+2 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H25N3/c1-17-5-4-6-18(13-17)15-23-9-11-24(12-10-23)16-19-14-22-21-8-3-2-7-20(19)21/h2-8,13-14,22H,9-12,15-16H2,1H3/p+2