1-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1S)-1-methyl-2-oxo-2-(5-quinolylamino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-(5-quinolinylamino)propan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-keto-1-methyl-2-(5-quinolylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-18(24(30)28-23-11-5-10-22-21(23)9-6-14-26-22)29-15-12-20(13-16-29)25(31)27-17-19-7-3-2-4-8-19/h2-11,14,18,20H,12-13,15-17H2,1H3,(H,27,31)(H,28,30)/p+1/t18-/m0/s1