[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]methylazanium Openeye Name: [3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]methylammonium CAS Name: [3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]methylammonium IUPAC Name: [3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)C[NH3+]

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)C[NH3+]

InChI

InChI=1S/C14H23N3/c1-16-6-3-7-17(9-8-16)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,11-12,15H2,1H3/p+2