1,3-benzodioxol-5-ylmethyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: [2-(isoamylcarbamoylamino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+](C)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+](C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H25N3O4/c1-12(2)6-7-18-17(22)19-16(21)10-20(3)9-13-4-5-14-15(8-13)24-11-23-14/h4-5,8,12H,6-7,9-11H2,1-3H3,(H2,18,19,21,22)/p+1