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

Systemtic Name: 2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(3-indol-1-ylpropyl)ethanamide Openeye Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-indol-1-ylpropyl)acetamide CAS Name: 2-[5-(1-azepan-1-iumylmethyl)-1-tetrazolyl]-N-[3-(1-indolyl)propyl]acetamide IUPAC Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-indol-1-ylpropyl)acetamide Traditional Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-indol-1-ylpropyl)acetamide Formula: C21H30N7O+ MolecularWeight: 396.5092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=NN2CC(=O)NCCCN3C=CC4=CC=CC=C43

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=NN2CC(=O)NCCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C21H29N7O/c29-21(22-11-7-14-27-15-10-18-8-3-4-9-19(18)27)17-28-20(23-24-25-28)16-26-12-5-1-2-6-13-26/h3-4,8-10,15H,1-2,5-7,11-14,16-17H2,(H,22,29)/p+1