4-(4-chloranyl-2-methyl-phenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-chloro-2-methyl-phenoxy)butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-chloro-2-methylphenoxy)butanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-chloro-2-methyl-phenoxy)butyramide Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29ClN2O2/c1-18-16-20(24)9-10-22(18)28-15-5-8-23(27)25-21-11-13-26(14-12-21)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,21H,5,8,11-15,17H2,1H3,(H,25,27)/p+1