(2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propionamide Formula: C20H32ClN3O2+2 MolecularWeight: 381.93998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C20H30ClN3O2/c1-15(20(25)22-18-14-16(21)6-7-19(18)26-2)23-12-8-17(9-13-23)24-10-4-3-5-11-24/h6-7,14-15,17H,3-5,8-13H2,1-2H3,(H,22,25)/p+2/t15-/m1/s1