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

Systemtic Name: (3S)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[2-(2-methyl-1-imidazolyl)ethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCN(C)C(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC=CN1CCN(C)C(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H33N5O3/c1-17-21-6-9-24(17)11-10-22(2)20(27)18-4-5-19(26)25(16-18)8-3-7-23-12-14-28-15-13-23/h6,9,18H,3-5,7-8,10-16H2,1-2H3/p+1/t18-/m0/s1