N-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]acetamide CAS Name: N-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]acetamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

InChI

InChI=1S/C15H23N3O/c1-13(19)16-15-6-4-14(5-7-15)12-18-9-3-8-17(2)10-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19)/p+1