1,3-benzodioxol-5-ylmethyl-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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