2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]benzonitrile CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]benzonitrile IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]benzonitrile Traditional Name: 2-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)benzonitrile Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N3O/c1-24-19-9-7-17(8-10-19)16-22-11-4-12-23(14-13-22)20-6-3-2-5-18(20)15-21/h2-3,5-10H,4,11-14,16H2,1H3/p+1