1-ethyl-4-[2-[4-(hydroxymethyl)-1-phenylazanyl-piperidin-1-ium-1-yl]ethyl]-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-ethyl-4-[2-[4-(hydroxymethyl)-1-phenylazanyl-piperidin-1-ium-1-yl]ethyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-[1-anilino-4-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]-4-ethyl-tetrazol-5-one CAS Name: 1-[2-[1-anilino-4-(hydroxymethyl)-1-piperidin-1-iumyl]ethyl]-4-ethyl-5-tetrazolone IUPAC Name: 1-[2-[1-anilino-4-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]-4-ethyltetrazol-5-one Traditional Name: 1-[2-(1-anilino-4-methylol-piperidin-1-ium-1-yl)ethyl]-4-ethyl-tetrazol-5-one Formula: C17H27N6O2+ MolecularWeight: 347.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(N=N1)CC[N+]2(CCC(CC2)CO)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)N(N=N1)CC[N+]2(CCC(CC2)CO)NC3=CC=CC=C3

InChI

InChI=1S/C17H27N6O2/c1-2-21-17(25)22(20-19-21)10-13-23(11-8-15(14-24)9-12-23)18-16-6-4-3-5-7-16/h3-7,15,18,24H,2,8-14H2,1H3/q+1