6-methoxy-4-[[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-methoxy-4-[[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-methoxy-4-[[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-methoxy-4-[[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-4-[[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-methoxy-4-[[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CC3=CC(=O)OC4=C3C=C(C=C4)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=CC(=C2)C)CC3=CC(=O)OC4=C3C=C(C=C4)OC

InChI

InChI=1S/C23H26N2O3/c1-16-5-4-6-19(11-16)25-10-9-24(14-17(25)2)15-18-12-23(26)28-22-8-7-20(27-3)13-21(18)22/h4-8,11-13,17H,9-10,14-15H2,1-3H3/p+1/t17-/m0/s1