4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-isopropyl-chromen-2-one CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-isopropyl-coumarin Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c1-18(2)20-8-9-23-22(14-20)21(15-24(27)28-23)17-26-12-10-25(11-13-26)16-19-6-4-3-5-7-19/h3-9,14-15,18H,10-13,16-17H2,1-2H3/p+1