7-methyl-4-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CC[NH+](CC3)CC4=CC(=O)OC5=C4C=CC(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CC[NH+](CC3)CC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C27H29N3O3/c1-18-4-7-21(8-5-18)27-28-24(20(3)32-27)17-30-12-10-29(11-13-30)16-22-15-26(31)33-25-14-19(2)6-9-23(22)25/h4-9,14-15H,10-13,16-17H2,1-3H3/p+1