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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(3-methyl-5-propan-2-yl-4-isoxazolyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H29N3O2/c1-18(2)24-22(19(3)26-30-24)25(29)28-16-14-27(15-17-28)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,23H,14-17H2,1-3H3/p+1