(3S)-N-(2-hydroxyethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-hydroxyethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(2-hydroxyethyl)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-N-(2-hydroxyethyl)-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N(CCO)CC2=CC=CC=C2)CCC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N(CCO)CC2=CC=CC=C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O4/c26-14-11-25(17-19-5-2-1-3-6-19)22(28)20-7-8-21(27)24(18-20)10-4-9-23-12-15-29-16-13-23/h1-3,5-6,20,26H,4,7-18H2/p+1/t20-/m0/s1