7-[(2R)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2R)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2R)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C30H33N2O4+ MolecularWeight: 485.59402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@@H](CN3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H32N2O4/c1-22-18-29(34)36-28-19-26(12-13-27(22)28)35-21-25(33)20-31-14-16-32(17-15-31)30(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,18-19,25,30,33H,14-17,20-21H2,1H3/p+1/t25-/m1/s1