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

Systemtic Name: (3S)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-propan-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(1-methyl-2-imidazolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-propan-2-yl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-isopropyl-6-keto-N-[(1-methylimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C21H36N5O3+ MolecularWeight: 406.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC=CN1C)C(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)N(CC1=NC=CN1C)C(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H35N5O3/c1-17(2)26(16-19-22-7-10-23(19)3)21(28)18-5-6-20(27)25(15-18)9-4-8-24-11-13-29-14-12-24/h7,10,17-18H,4-6,8-9,11-16H2,1-3H3/p+1/t18-/m0/s1