N-[(3-chlorophenyl)methyl]-3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C25H29ClN3O+ MolecularWeight: 422.97026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28ClN3O/c26-23-6-1-3-20(15-23)16-28-25(30)8-7-19-10-13-29(14-11-19)18-22-5-2-4-21-17-27-12-9-24(21)22/h1-6,9,12,15,17,19H,7-8,10-11,13-14,16,18H2,(H,28,30)/p+1