6-chloranyl-3-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]chromen-4-one Openeye Name: 6-chloro-3-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]chromen-4-one CAS Name: 6-chloro-3-[(R)-(1-cyclohexyl-5-tetrazolyl)-(1-piperidin-1-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]chromen-4-one Traditional Name: 6-chloro-3-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]chromone Formula: C22H27ClN5O2+ MolecularWeight: 428.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C(C3=COC4=C(C3=O)C=C(C=C4)Cl)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)[C@@H](C3=COC4=C(C3=O)C=C(C=C4)Cl)[NH+]5CCCCC5

InChI

InChI=1S/C22H26ClN5O2/c23-15-9-10-19-17(13-15)21(29)18(14-30-19)20(27-11-5-2-6-12-27)22-24-25-26-28(22)16-7-3-1-4-8-16/h9-10,13-14,16,20H,1-8,11-12H2/p+1/t20-/m1/s1