3-[azanyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylidene]pentane-2,4-dione

Systemtic Name: 3-[azanyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylidene]pentane-2,4-dione Openeye Name: 3-[amino-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylene]pentane-2,4-dione CAS Name: 3-[amino-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methylidene]pentane-2,4-dione IUPAC Name: 3-[amino-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylidene]pentane-2,4-dione Traditional Name: 3-[amino-(4-piperonylpiperazin-4-ium-1-yl)methylene]pentane-2,4-dione Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CC(=O)C(=C(N)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C18H23N3O4/c1-12(22)17(13(2)23)18(19)21-7-5-20(6-8-21)10-14-3-4-15-16(9-14)25-11-24-15/h3-4,9H,5-8,10-11,19H2,1-2H3/p+1