1,3-benzodioxol-5-ylmethyl-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium Traditional Name: [2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl]-methyl-piperonyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O3/c1-4-15(2)17-6-8-18(9-7-17)22-21(24)13-23(3)12-16-5-10-19-20(11-16)26-14-25-19/h5-11,15H,4,12-14H2,1-3H3,(H,22,24)/p+1/t15-/m0/s1