6-ethyl-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-[(5-methyl-2-phenyl-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:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=CC=C5)C

InChI

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