1-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C23H23N2O2+ MolecularWeight: 359.44092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C23H22N2O2/c1-24-12-4-8-19(24)20-9-5-13-25(20)15-17-14-22(26)27-21-11-10-16-6-2-3-7-18(16)23(17)21/h2-4,6-8,10-12,14,20H,5,9,13,15H2,1H3/p+1/t20-/m1/s1