N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H19N3O2/c1-18-12-5-3-11(4-6-12)15-13(17)16-9-2-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)/p+1