4-[[4-[(2R)-2-(4-methoxyphenoxy)propanoyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2R)-2-(4-methoxyphenoxy)propanoyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2R)-2-(4-methoxyphenoxy)propanoyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2R)-2-(4-methoxyphenoxy)-1-oxopropyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2R)-2-(4-methoxyphenoxy)propanoyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2R)-2-(4-methoxyphenoxy)propanoyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH+](CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCC[NH+](CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O3/c1-18(29-22-10-8-21(28-2)9-11-22)23(27)26-13-3-12-25(14-15-26)17-20-6-4-19(16-24)5-7-20/h4-11,18H,3,12-15,17H2,1-2H3/p+1/t18-/m1/s1