4-methyl-6-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-7-propan-2-yloxy-chromen-2-one

Systemtic Name: 4-methyl-6-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-7-propan-2-yloxy-chromen-2-one Openeye Name: 6-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-7-isopropoxy-4-methyl-chromen-2-one CAS Name: 4-methyl-6-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-7-propan-2-yloxy-1-benzopyran-2-one IUPAC Name: 6-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-4-methyl-7-propan-2-yloxychromen-2-one Traditional Name: 6-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-7-isopropoxy-4-methyl-coumarin Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC(C)C

InChI

InChI=1S/C27H32N2O4/c1-19(2)32-24-17-25-23(20(3)15-27(31)33-25)16-22(24)9-10-26(30)29-13-11-28(12-14-29)18-21-7-5-4-6-8-21/h4-8,15-17,19H,9-14,18H2,1-3H3/p+1