N-(phenylmethyl)-3-piperidin-1-ium-1-yl-butanamide chloride

Systemtic Name: N-(phenylmethyl)-3-piperidin-1-ium-1-yl-butanamide chloride Openeye Name: N-benzyl-3-piperidin-1-ium-1-yl-butanamide chloride CAS Name: N-(phenylmethyl)-3-(1-piperidin-1-iumyl)butanamide chloride IUPAC Name: N-benzyl-3-piperidin-1-ium-1-ylbutanamide chloride Traditional Name: N-benzyl-3-piperidin-1-ium-1-yl-butyramide chloride Formula: C16H25ClN2O MolecularWeight: 296.8355

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=CC=CC=C1)[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CC(CC(=O)NCC1=CC=CC=C1)[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C16H24N2O.ClH/c1-14(18-10-6-3-7-11-18)12-16(19)17-13-15-8-4-2-5-9-15;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,17,19);1H