2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[5-(1-azepan-1-iumylmethyl)-1-tetrazolyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-phenylpropyl)acetamide Formula: C19H29N6O+ MolecularWeight: 357.47316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=NN2CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=NN2CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C19H28N6O/c26-19(20-12-8-11-17-9-4-3-5-10-17)16-25-18(21-22-23-25)15-24-13-6-1-2-7-14-24/h3-5,9-10H,1-2,6-8,11-16H2,(H,20,26)/p+1