3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(2-methoxy-5-methyl-benzyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H25N3O2S/c1-16-5-6-19(25-2)17(12-16)14-23-7-9-24(10-8-23)15-18-13-20(26-22-18)21-4-3-11-27-21/h3-6,11-13H,7-10,14-15H2,1-2H3/p+1