(2S)-N-(3-methylbutyl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propanamide

Systemtic Name: (2S)-N-(3-methylbutyl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propanamide Openeye Name: (2S)-N-isopentyl-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propanamide CAS Name: (2S)-N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]propanamide IUPAC Name: (2S)-N-(3-methylbutyl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propanamide Traditional Name: (2S)-N-isoamyl-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propionamide Formula: C17H36N3O+ MolecularWeight: 298.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(C)C(=O)NCCC(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCN[C@@H](C)C(=O)NCCC(C)C

InChI

InChI=1S/C17H35N3O/c1-14(2)9-11-19-17(21)16(4)18-10-7-13-20-12-6-5-8-15(20)3/h14-16,18H,5-13H2,1-4H3,(H,19,21)/p+1/t15-,16-/m0/s1