[4-[(2-oxidanylideneazepan-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [4-[(2-oxidanylideneazepan-1-yl)methyl]phenyl]methylazanium Openeye Name: [4-[(2-oxoazepan-1-yl)methyl]phenyl]methylammonium CAS Name: [4-[(2-oxo-1-azepanyl)methyl]phenyl]methylammonium IUPAC Name: [4-[(2-oxoazepan-1-yl)methyl]phenyl]methylazanium Traditional Name: [4-[(2-ketoazepan-1-yl)methyl]benzyl]ammonium Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C14H20N2O/c15-10-12-5-7-13(8-6-12)11-16-9-3-1-2-4-14(16)17/h5-8H,1-4,9-11,15H2/p+1