2-(4-chloranylphenoxy)ethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[3-[(2-cyclopentyl-3-pyrazolyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-keto-propyl]-methyl-ammonium Formula: C20H28ClN4O2+ MolecularWeight: 391.91492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=NN1C2CCCC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=NN1C2CCCC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O2/c1-24(14-15-27-18-8-6-16(21)7-9-18)13-11-20(26)23-19-10-12-22-25(19)17-4-2-3-5-17/h6-10,12,17H,2-5,11,13-15H2,1H3,(H,23,26)/p+1