2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[5-(1-azepan-1-iumylmethyl)-1-tetrazolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C20H30N7O+ MolecularWeight: 384.4985

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=NN2CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=NN2CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H29N7O/c28-20(26-14-12-25(13-15-26)18-8-4-3-5-9-18)17-27-19(21-22-23-27)16-24-10-6-1-2-7-11-24/h3-5,8-9H,1-2,6-7,10-17H2/p+1