(3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1-benzotriazolyl)propyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C21H31N6O3+ MolecularWeight: 415.50924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCCN2C3=CC=CC=C3N=N2)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCCN2C3=CC=CC=C3N=N2)CC[NH+]4CCOCC4

InChI

InChI=1S/C21H30N6O3/c28-20-7-6-17(16-26(20)11-10-25-12-14-30-15-13-25)21(29)22-8-3-9-27-19-5-2-1-4-18(19)23-24-27/h1-2,4-5,17H,3,6-16H2,(H,22,29)/p+1/t17-/m0/s1