[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C13H29N3O+2 MolecularWeight: 243.38886

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH2+]C1CC[NH+](CC1)C(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC1)C(C)C

InChI

InChI=1S/C13H27N3O/c1-5-14-13(17)11(4)15-12-6-8-16(9-7-12)10(2)3/h10-12,15H,5-9H2,1-4H3,(H,14,17)/p+2/t11-/m0/s1