(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-prop-2-enyl-N-prop-2-ynyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-prop-2-enyl-N-prop-2-ynyl-piperidine-3-carboxamide Openeye Name: (3S)-N-allyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-prop-2-ynyl-piperidine-3-carboxamide CAS Name: (3S)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide Traditional Name: (3S)-N-allyl-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)-N-propargyl-nipecotamide Formula: C19H30N3O3+ MolecularWeight: 348.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)C1CCC(=O)N(C1)CCC[NH+]2CCOCC2

Isomeric SMILES

C=CCN(CC#C)C(=O)[C@H]1CCC(=O)N(C1)CCC[NH+]2CCOCC2

InChI

InChI=1S/C19H29N3O3/c1-3-8-21(9-4-2)19(24)17-6-7-18(23)22(16-17)11-5-10-20-12-14-25-15-13-20/h1,4,17H,2,5-16H2/p+1/t17-/m0/s1