3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-propanamide

Systemtic Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-propanamide Openeye Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-propanamide CAS Name: 3-[1-[(4-acetamidophenyl)methyl]-4-piperidin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropylpropanamide Traditional Name: 3-[1-(4-acetamidobenzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-propionamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3

InChI

InChI=1S/C20H29N3O2/c1-15(24)21-18-5-2-17(3-6-18)14-23-12-10-16(11-13-23)4-9-20(25)22-19-7-8-19/h2-3,5-6,16,19H,4,7-14H2,1H3,(H,21,24)(H,22,25)/p+1