4-[[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[(2S)-2-[[[anilino(oxo)methyl]amino]methyl]-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]methyl]benzamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CNC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CNC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H26N4O2/c22-20(26)17-11-9-16(10-12-17)15-25-13-5-4-8-19(25)14-23-21(27)24-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H2,22,26)(H2,23,24,27)/p+1/t19-/m0/s1