[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2,3-dimethyl-6-quinoxalinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)N=C1C

InChI

InChI=1S/C23H24N4O3/c1-15-16(2)25-20-12-18(4-5-19(20)24-15)23(28)27-9-7-26(8-10-27)13-17-3-6-21-22(11-17)30-14-29-21/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1