N-ethyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)-1,2,3-triazol-1-yl]piperidine-1-carboxamide

Systemtic Name: N-ethyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)-1,2,3-triazol-1-yl]piperidine-1-carboxamide Openeye Name: N-ethyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide CAS Name: N-ethyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)-1-triazolyl]-1-piperidinecarboxamide IUPAC Name: N-ethyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide Traditional Name: N-ethyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide Formula: C16H29N6O2+ MolecularWeight: 337.44046

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCC(CC1)N2C=C(N=N2)C[NH+]3CCCOCC3

Isomeric SMILES

CCNC(=O)N1CCC(CC1)N2C=C(N=N2)C[NH+]3CCCOCC3

InChI

InChI=1S/C16H28N6O2/c1-2-17-16(23)21-7-4-15(5-8-21)22-13-14(18-19-22)12-20-6-3-10-24-11-9-20/h13,15H,2-12H2,1H3,(H,17,23)/p+1