(3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(benzofurazan-5-ylmethyl)-6-keto-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NON=C2C=C1)C(=O)C3CCC(=O)N(C3)CCC[NH+]4CCOCC4

Isomeric SMILES

CN(CC1=CC2=NON=C2C=C1)C(=O)[C@H]3CCC(=O)N(C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C21H29N5O4/c1-24(14-16-3-5-18-19(13-16)23-30-22-18)21(28)17-4-6-20(27)26(15-17)8-2-7-25-9-11-29-12-10-25/h3,5,13,17H,2,4,6-12,14-15H2,1H3/p+1/t17-/m0/s1