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

Systemtic Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]-1H-indole Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C22H27N3O2/c1-26-21-8-7-17(13-22(21)27-2)15-24-9-11-25(12-10-24)16-18-14-23-20-6-4-3-5-19(18)20/h3-8,13-14,23H,9-12,15-16H2,1-2H3/p+2