[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(4-ethoxyphenyl)isoxazol-3-yl]-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: [5-(4-ethoxyphenyl)-3-isoxazolyl]-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-p-phenetylisoxazol-3-yl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C23H26N4O3/c1-2-29-20-5-3-19(4-6-20)22-17-21(25-30-22)23(28)27-15-13-26(14-16-27)12-9-18-7-10-24-11-8-18/h3-8,10-11,17H,2,9,12-16H2,1H3/p+1