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

Systemtic Name: 7-methyl-4-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-benzylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[4-(phenylmethyl)-1-pyridin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-benzylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C26H26NO2+ MolecularWeight: 384.49014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H26NO2/c1-18(2)23-16-24-22(15-26(28)29-25(24)13-19(23)3)17-27-11-9-21(10-12-27)14-20-7-5-4-6-8-20/h4-13,15-16,18H,14,17H2,1-3H3/q+1