(2S)-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: (2S)-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-phenyl-butanamide CAS Name: (2S)-2-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylbutanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-phenyl-butyramide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-2-21(19-11-7-4-8-12-19)22(25)23-20-13-15-24(16-14-20)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3,(H,23,25)/p+1/t21-/m0/s1