4-(4-chlorophenyl)-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2-oxazol-5-amine

Systemtic Name: 4-(4-chlorophenyl)-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2-oxazol-5-amine Openeye Name: 4-(4-chlorophenyl)-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]isoxazol-5-amine CAS Name: 4-(4-chlorophenyl)-3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-isoxazolamine IUPAC Name: 4-(4-chlorophenyl)-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2-oxazol-5-amine Traditional Name: [4-(4-chlorophenyl)-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]isoxazol-5-yl]amine Formula: C16H22ClN4O+ MolecularWeight: 321.82508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NOC(=C2C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NOC(=C2C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H21ClN4O/c1-2-20-7-9-21(10-8-20)11-14-15(16(18)22-19-14)12-3-5-13(17)6-4-12/h3-6H,2,7-11,18H2,1H3/p+1