3-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[3-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C26H30ClN2O5+ MolecularWeight: 485.9798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN2O5/c1-18-22-8-7-21(32-2)17-24(22)34-26(31)23(18)9-10-25(30)29-13-11-28(12-14-29)15-16-33-20-5-3-19(27)4-6-20/h3-8,17H,9-16H2,1-2H3/p+1