7-methyl-4-[[4-[[5-methyl-2-(3-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-(3-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-(m-tolyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[[5-methyl-2-(3-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-(m-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=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC(=CC=C5)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC(=CC=C5)C)C

InChI

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