[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]phenyl]methylazanium

Systemtic Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]phenyl]methylazanium Openeye Name: [4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]methylammonium CAS Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]phenyl]methylammonium IUPAC Name: [4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]methylazanium Traditional Name: [4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C14H21N3O/c1-16-7-2-8-17(10-9-16)14(18)13-5-3-12(11-15)4-6-13/h3-6H,2,7-11,15H2,1H3/p+2