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

Systemtic Name: 4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)-1,2,3-triazol-1-yl]-N-(phenylmethyl)piperidine-1-carboxamide Openeye Name: N-benzyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide CAS Name: 4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)-1-triazolyl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: N-benzyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide Traditional Name: N-benzyl-4-[4-(1,4-oxazepan-4-ium-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CC2=CN(N=N2)C3CCN(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCOC1)CC2=CN(N=N2)C3CCN(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H30N6O2/c28-21(22-15-18-5-2-1-3-6-18)26-10-7-20(8-11-26)27-17-19(23-24-27)16-25-9-4-13-29-14-12-25/h1-3,5-6,17,20H,4,7-16H2,(H,22,28)/p+1