2-(1,4-diazepan-1-ium-1-ylmethyl)benzamide

Systemtic Name: 2-(1,4-diazepan-1-ium-1-ylmethyl)benzamide Openeye Name: 2-(1,4-diazepan-1-ium-1-ylmethyl)benzamide CAS Name: 2-(1,4-diazepan-1-ium-1-ylmethyl)benzamide IUPAC Name: 2-(1,4-diazepan-1-ium-1-ylmethyl)benzamide Traditional Name: 2-(1,4-diazepan-1-ium-1-ylmethyl)benzamide Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC=CC=C2C(=O)N

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C13H19N3O/c14-13(17)12-5-2-1-4-11(12)10-16-8-3-6-15-7-9-16/h1-2,4-5,15H,3,6-10H2,(H2,14,17)/p+1