(2S)-3-methyl-2-(phenylcarbamoylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: (2S)-3-methyl-2-(phenylcarbamoylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2/c1-18(2)22(27-24(30)26-20-11-7-4-8-12-20)23(29)25-21-13-15-28(16-14-21)17-19-9-5-3-6-10-19/h3-12,18,21-22H,13-17H2,1-2H3,(H,25,29)(H2,26,27,30)/p+1/t22-/m0/s1