(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-ethyl-5-methyl-isoxazol-4-yl)-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-ethyl-5-methyl-4-isoxazolyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-ethyl-5-methyl-isoxazol-4-yl)-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C21H29N3O2/c1-5-19-20(16(4)26-22-19)21(25)24-12-10-23(11-13-24)14-17-6-8-18(9-7-17)15(2)3/h6-9,15H,5,10-14H2,1-4H3/p+1