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

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O/c14-13(17)12-4-2-11(3-5-12)10-16-8-1-6-15-7-9-16/h2-5,15H,1,6-10H2,(H2,14,17)/p+1