3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenylpropanamide IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-27-21-10-8-19(9-11-21)18-25-14-5-13-24(16-17-25)15-12-22(26)23-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)/p+1