1-[(2-chlorophenyl)methyl]-4-methanidyl-1,4-diazepan-4-ium

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-methanidyl-1,4-diazepan-4-ium Openeye Name: 1-[(2-chlorophenyl)methyl]-4-methanidyl-1,4-diazepan-4-ium CAS Name: 1-[(2-chlorophenyl)methyl]-4-methanidyl-1,4-diazepan-4-ium IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-methanidyl-1,4-diazepan-4-ium Traditional Name: 1-(2-chlorobenzyl)-4-methanidyl-1,4-diazepan-4-ium Formula: C13H19ClN2 MolecularWeight: 238.75636

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][NH+]1CCCN(CC1)CC2=CC=CC=C2Cl

Isomeric SMILES

[CH2-][NH+]1CCCN(CC1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C13H19ClN2/c1-15-7-4-8-16(10-9-15)11-12-5-2-3-6-13(12)14/h2-3,5-6,15H,1,4,7-11H2