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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Traditional Name: (3-methoxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H23N2O4+ MolecularWeight: 355.40762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4/c1-24-17-4-2-3-16(12-17)20(23)22-9-7-21(8-10-22)13-15-5-6-18-19(11-15)26-14-25-18/h2-6,11-12H,7-10,13-14H2,1H3/p+1