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

Systemtic Name: N-[1-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O2/c1-13(17(22)19-15-7-8-15)21-11-9-16(10-12-21)20-18(23)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,19,22)(H,20,23)/p+1/t13-/m0/s1