7-methyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]chromen-2-one Openeye Name: 7-methyl-4-[(4-piperidin-1-ium-1-yl-1-piperidyl)methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]chromen-2-one Traditional Name: 7-methyl-4-[(4-piperidin-1-ium-1-ylpiperidino)methyl]coumarin Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H28N2O2/c1-16-5-6-19-17(14-21(24)25-20(19)13-16)15-22-11-7-18(8-12-22)23-9-3-2-4-10-23/h5-6,13-14,18H,2-4,7-12,15H2,1H3/p+1