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

Systemtic Name: 3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: 3-[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H29N3O/c1-19-4-2-7-23(16-19)27-25(29)9-8-20-11-14-28(15-12-20)18-22-6-3-5-21-17-26-13-10-24(21)22/h2-7,10,13,16-17,20H,8-9,11-12,14-15,18H2,1H3,(H,27,29)/p+1