(3S)-N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-ethyl-2-pyridyl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(5-ethyl-2-pyridyl)methyl]-6-keto-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CN(C)C(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CN=C(C=C1)CN(C)C(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C22H34N4O3/c1-3-18-5-7-20(23-15-18)17-24(2)22(28)19-6-8-21(27)26(16-19)10-4-9-25-11-13-29-14-12-25/h5,7,15,19H,3-4,6,8-14,16-17H2,1-2H3/p+1/t19-/m0/s1