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

Systemtic Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone CAS Name: (3-methyl-5-propan-2-yl-4-isoxazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-14(2)18-17(15(3)20-24-18)19(23)22-11-9-21(10-12-22)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3/p+1