1-(4-methoxyphenyl)-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-[(1-isopropyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-(4-methoxyphenyl)-4-[(1-propan-2-yl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-[(1-isopropyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H24N6O/c1-13(2)22-16(17-18-19-22)12-20-8-10-21(11-9-20)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3/p+1