[3-(azepan-1-ium-1-ylmethyl)phenyl]methylazanium

Systemtic Name: [3-(azepan-1-ium-1-ylmethyl)phenyl]methylazanium Openeye Name: [3-(azepan-1-ium-1-ylmethyl)phenyl]methylammonium CAS Name: [3-(1-azepan-1-iumylmethyl)phenyl]methylammonium IUPAC Name: [3-(azepan-1-ium-1-ylmethyl)phenyl]methylazanium Traditional Name: [3-(azepan-1-ium-1-ylmethyl)benzyl]ammonium Formula: C14H24N2+2 MolecularWeight: 220.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2/c15-11-13-6-5-7-14(10-13)12-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-12,15H2/p+2