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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepan-1-ium Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(1-phenyl-5-tetrazolyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium Traditional Name: 1-p-anisyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O/c1-27-19-10-8-17(9-11-19)16-24-12-5-13-25(15-14-24)20-21-22-23-26(20)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3/p+1