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

Systemtic Name: 7-methyl-4-[[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-(p-tolylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-(4-methylbenzyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C23H26N2O2/c1-17-3-6-19(7-4-17)15-24-9-11-25(12-10-24)16-20-14-23(26)27-22-13-18(2)5-8-21(20)22/h3-8,13-14H,9-12,15-16H2,1-2H3/p+1