(5R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-phenyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Formula: C25H30ClN2O3+ MolecularWeight: 441.9703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C25H29ClN2O3/c26-22-15-24-23(30-17-31-24)14-20(22)16-28-13-10-21(6-7-25(28)29)27-11-8-19(9-12-27)18-4-2-1-3-5-18/h1-5,14-15,19,21H,6-13,16-17H2/p+1/t21-/m1/s1