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

Systemtic Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-5-propan-2-yl-4-isoxazolyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)C(C)C

InChI

InChI=1S/C22H31N3O2/c1-15(2)19-8-6-18(7-9-19)14-24-10-12-25(13-11-24)22(26)20-17(5)23-27-21(20)16(3)4/h6-9,15-16H,10-14H2,1-5H3/p+1