1,3-benzodioxol-5-ylmethyl-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: [3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-3-keto-propyl]-methyl-piperonyl-ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CC[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CC[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O3/c1-16-23(17(2)27(25-16)19-7-5-4-6-8-19)24-22(28)11-12-26(3)14-18-9-10-20-21(13-18)30-15-29-20/h4-10,13H,11-12,14-15H2,1-3H3,(H,24,28)/p+1