1-[(1-methylpyrrol-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(1-methyl-2-pyrrolyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C20H31N3O3+2 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CN1C=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C20H29N3O3/c1-21-7-5-6-17(21)15-23-10-8-22(9-11-23)14-16-12-19(25-3)20(26-4)13-18(16)24-2/h5-7,12-13H,8-11,14-15H2,1-4H3/p+2