1-methyl-4-(phenylmethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-(phenylmethyl)-1,4-diazepan-4-ium Openeye Name: 1-benzyl-4-methyl-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(phenylmethyl)-1,4-diazepan-4-ium IUPAC Name: 1-benzyl-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-benzyl-4-methyl-1,4-diazepan-1-ium Formula: C13H21N2+ MolecularWeight: 205.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2/c1-14-8-5-9-15(11-10-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3/p+1