3-[1,3-benzodioxol-5-yl-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-1H-indole

Systemtic Name: 3-[1,3-benzodioxol-5-yl-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-1H-indole Openeye Name: 3-[1,3-benzodioxol-5-yl-(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole CAS Name: 3-[1,3-benzodioxol-5-yl-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-1H-indole IUPAC Name: 3-[1,3-benzodioxol-5-yl-(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole Traditional Name: 3-[1,3-benzodioxol-5-yl-(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-indole Formula: C28H31N3O2+2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC4=C(C=C3)OCO4)[NH+]5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=CC4=C(C=C3)OCO4)[NH+]5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C28H29N3O2/c1-20-27(23-9-5-6-10-24(23)29-20)28(22-11-12-25-26(17-22)33-19-32-25)31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17,28-29H,13-16,18-19H2,1H3/p+2