2-[[(2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-3-methyl-butanoyl]amino]ethylazanium

Systemtic Name: 2-[[(2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-3-methyl-butanoyl]amino]ethylazanium Openeye Name: 2-[[(2R)-2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-3-methyl-butanoyl]amino]ethylammonium CAS Name: 2-[[(2R)-2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-3-methyl-1-oxobutyl]amino]ethylammonium IUPAC Name: 2-[[(2R)-2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-3-methylbutanoyl]amino]ethylazanium Traditional Name: 2-[[(2R)-2-[5-(azepan-1-yl)-2-keto-1-pyridyl]-3-methyl-butanoyl]amino]ethylammonium Formula: C18H31N4O2+ MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH3+])N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)[C@H](C(=O)NCC[NH3+])N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C18H30N4O2/c1-14(2)17(18(24)20-10-9-19)22-13-15(7-8-16(22)23)21-11-5-3-4-6-12-21/h7-8,13-14,17H,3-6,9-12,19H2,1-2H3,(H,20,24)/p+1/t17-/m1/s1