N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(1-phenyl-4-piperidinyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-chlorobenzyl)-3-[(3R)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-yl]propionamide Formula: C26H35ClN3O+ MolecularWeight: 441.0286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)CCC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)CCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C26H34ClN3O/c27-25-11-5-4-8-22(25)19-28-26(31)13-12-21-7-6-16-30(20-21)24-14-17-29(18-15-24)23-9-2-1-3-10-23/h1-5,8-11,21,24H,6-7,12-20H2,(H,28,31)/p+1/t21-/m1/s1