[(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[ethyl-[2-(4-pyridyl)ethyl]carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[ethyl(2-pyridin-4-ylethyl)amino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[ethyl-[2-(4-pyridyl)ethyl]carbamoyl]-3-methyl-butyl]ammonium Formula: C15H26N3O+ MolecularWeight: 264.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=NC=C1)C(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CCN(CCC1=CC=NC=C1)C(=O)[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C15H25N3O/c1-4-18(15(19)14(16)11-12(2)3)10-7-13-5-8-17-9-6-13/h5-6,8-9,12,14H,4,7,10-11,16H2,1-3H3/p+1/t14-/m0/s1