N-[1-[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(1S)-2-keto-1-methyl-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-17(19-9-5-3-6-10-19)24-22(27)18(2)26-15-13-21(14-16-26)25-23(28)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t17-,18-/m0/s1