3-(1,4-diazepan-1-ium-1-ylmethyl)benzamide

Systemtic Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)benzamide Openeye Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)benzamide CAS Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)benzamide IUPAC Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)benzamide Traditional Name: 3-(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(=C2)C(=O)N

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=CC(=C2)C(=O)N

InChI

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