2-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-cyclopentyl-acetamide CAS Name: 2-[4-acetamido-4-(4-methoxyphenyl)-1-piperidin-1-iumyl]-N-cyclopentylacetamide IUPAC Name: 2-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-cyclopentylacetamide Traditional Name: 2-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-cyclopentyl-acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC[NH+](CC1)CC(=O)NC2CCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC1(CC[NH+](CC1)CC(=O)NC2CCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31N3O3/c1-16(25)23-21(17-7-9-19(27-2)10-8-17)11-13-24(14-12-21)15-20(26)22-18-5-3-4-6-18/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,26)(H,23,25)/p+1