2-[5-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]pentanoylamino]ethylazanium

Systemtic Name: 2-[5-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]pentanoylamino]ethylazanium Openeye Name: 2-[5-[5-(azepan-1-yl)-2-oxo-1-pyridyl]pentanoylamino]ethylammonium CAS Name: 2-[[5-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopentyl]amino]ethylammonium IUPAC Name: 2-[5-[5-(azepan-1-yl)-2-oxopyridin-1-yl]pentanoylamino]ethylazanium Traditional Name: 2-[5-[5-(azepan-1-yl)-2-keto-1-pyridyl]pentanoylamino]ethylammonium Formula: C18H31N4O2+ MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCCCC(=O)NCC[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCCCC(=O)NCC[NH3+]

InChI

InChI=1S/C18H30N4O2/c19-10-11-20-17(23)7-3-6-14-22-15-16(8-9-18(22)24)21-12-4-1-2-5-13-21/h8-9,15H,1-7,10-14,19H2,(H,20,23)/p+1