3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C23H30N2O2+2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H28N2O2/c1-17-9-13-25(14-10-17)12-4-11-24-16-19-15-22(26)27-21-8-7-18-5-2-3-6-20(18)23(19)21/h2-3,5-8,15,17,24H,4,9-14,16H2,1H3/p+2