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

Systemtic Name: (3S)-N-[2-(benzotriazol-1-yl)ethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(benzotriazol-1-yl)ethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(1-benzotriazolyl)ethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(benzotriazol-1-yl)ethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(benzotriazol-1-yl)ethyl]-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCN2C3=CC=CC=C3N=N2)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCN2C3=CC=CC=C3N=N2)CC[NH+]4CCOCC4

InChI

InChI=1S/C20H28N6O3/c27-19-6-5-16(15-25(19)10-9-24-11-13-29-14-12-24)20(28)21-7-8-26-18-4-2-1-3-17(18)22-23-26/h1-4,16H,5-15H2,(H,21,28)/p+1/t16-/m0/s1