6-chloranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-26-18-4-2-3-17(12-18)24-9-7-23(8-10-24)13-15-14-27-20-6-5-16(22)11-19(20)21(15)25/h2-6,11-12,14H,7-10,13H2,1H3/p+1