4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-(3,4,5-trimethoxyphenyl)-1-butanone dichloride IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride Formula: C22H31Cl2N3O4 MolecularWeight: 472.40524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3.[Cl-].[Cl-]

InChI

InChI=1S/C22H29N3O4.2ClH/c1-27-19-15-17(16-20(28-2)22(19)29-3)18(26)7-6-10-24-11-13-25(14-12-24)21-8-4-5-9-23-21;;/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3;2*1H