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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-methylpropyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-isobutylpiperidin-1-ium-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(2-methylpropyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-methylpropyl)piperidin-1-ium-4-yl]methanone Traditional Name: (1-isobutylpiperidin-1-ium-4-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H35N3O3+2 MolecularWeight: 389.5316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H33N3O3/c1-17(2)14-23-7-5-19(6-8-23)22(26)25-11-9-24(10-12-25)15-18-3-4-20-21(13-18)28-16-27-20/h3-4,13,17,19H,5-12,14-16H2,1-2H3/p+2