2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H26N7O+ MolecularWeight: 356.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H25N7O/c26-18(24-8-4-5-9-24)15-23-12-10-22(11-13-23)14-17-19-20-21-25(17)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2/p+1