4-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-16(22(27)24-20-9-7-19(8-10-20)21(23)26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3,(H2,23,26)(H,24,27)/p+1/t16-/m1/s1