[4-(phenylmethyl)piperazin-4-ium-1-yl]-pyridin-1-ium-3-yl-methanone dichloride

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-pyridin-1-ium-3-yl-methanone dichloride Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-pyridin-1-ium-3-yl-methanone dichloride CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3-pyridin-1-iumyl)methanone dichloride IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-pyridin-1-ium-3-ylmethanone dichloride Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-pyridin-1-ium-3-yl-methanone dichloride Formula: C17H21Cl2N3O MolecularWeight: 354.27414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C[NH+]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C[NH+]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C17H19N3O.2ClH/c21-17(16-7-4-8-18-13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15;;/h1-8,13H,9-12,14H2;2*1H