3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H28N2O2/c1-17-7-4-5-13-25(17)14-6-12-24-16-19-15-22(26)27-21-11-10-18-8-2-3-9-20(18)23(19)21/h2-3,8-11,15,17,24H,4-7,12-14,16H2,1H3/p+2/t17-/m0/s1