3-(piperidin-1-ium-1-ylmethyl)-4-piperidin-1-yl-chromen-2-one

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)-4-piperidin-1-yl-chromen-2-one Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-4-(1-piperidyl)chromen-2-one CAS Name: 3-(1-piperidin-1-iumylmethyl)-4-(1-piperidinyl)-1-benzopyran-2-one IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)-4-piperidin-1-ylchromen-2-one Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-4-piperidino-coumarin Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=CC=CC=C3OC2=O)N4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=CC=CC=C3OC2=O)N4CCCCC4

InChI

InChI=1S/C20H26N2O2/c23-20-17(15-21-11-5-1-6-12-21)19(22-13-7-2-8-14-22)16-9-3-4-10-18(16)24-20/h3-4,9-10H,1-2,5-8,11-15H2/p+1