1-methyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-(3-pyridylmethyl)-1,4-diazepan-4-ium CAS Name: 1-methyl-4-(3-pyridinylmethyl)-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-(3-pyridylmethyl)-1,4-diazepan-4-ium Formula: C12H20N3+ MolecularWeight: 206.3073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3/c1-14-6-3-7-15(9-8-14)11-12-4-2-5-13-10-12/h2,4-5,10H,3,6-9,11H2,1H3/p+1