3-[(3R)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-[(3R)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-[(3R)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[(3R)-1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-[(3R)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-[(3R)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C25H38ClN3O2+2 MolecularWeight: 448.04112

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C25H36ClN3O2/c1-27-12-9-23(10-13-27)28(2)25(30)8-5-19-4-3-11-29(16-19)17-20-14-21-15-22(26)6-7-24(21)31-18-20/h6-7,14-15,19,23H,3-5,8-13,16-18H2,1-2H3/p+2/t19-/m1/s1