1-morpholin-4-yl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-morpholin-4-yl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-morpholino-butane-1,4-dione CAS Name: 1-(4-morpholinyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-morpholin-4-ylbutane-1,4-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-morpholino-butane-1,4-dione Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)N3CCOCC3

InChI

InChI=1S/C19H27N3O3/c23-18(6-7-19(24)22-12-14-25-15-13-22)21-10-8-20(9-11-21)16-17-4-2-1-3-5-17/h1-5H,6-16H2/p+1