3-[azanyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methylidene]pentane-2,4-dione

Systemtic Name: 3-[azanyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methylidene]pentane-2,4-dione Openeye Name: 3-[amino-(4-benzylpiperazin-4-ium-1-yl)methylene]pentane-2,4-dione CAS Name: 3-[amino-[4-(phenylmethyl)-1-piperazin-4-iumyl]methylidene]pentane-2,4-dione IUPAC Name: 3-[amino-(4-benzylpiperazin-4-ium-1-yl)methylidene]pentane-2,4-dione Traditional Name: 3-[amino-(4-benzylpiperazin-4-ium-1-yl)methylene]pentane-2,4-dione Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)C(=C(N)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C17H23N3O2/c1-13(21)16(14(2)22)17(18)20-10-8-19(9-11-20)12-15-6-4-3-5-7-15/h3-7H,8-12,18H2,1-2H3/p+1