1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 3,3-dimethyl-1-(4-piperonylpiperazin-4-ium-1-yl)butan-1-one Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)11-17(21)20-8-6-19(7-9-20)12-14-4-5-15-16(10-14)23-13-22-15/h4-5,10H,6-9,11-13H2,1-3H3/p+1