4-(azepan-1-ium-1-ylmethyl)-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-N'-hydroxy-benzamidine CAS Name: 4-(1-azepan-1-iumylmethyl)-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-N'-hydroxybenzenecarboximidamide Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-N'-hydroxy-benzamidine Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=NO)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C=C2)/C(=N\O)/N

InChI

InChI=1S/C14H21N3O/c15-14(16-18)13-7-5-12(6-8-13)11-17-9-3-1-2-4-10-17/h5-8,18H,1-4,9-11H2,(H2,15,16)/p+1