N-[(2S)-pentan-2-yl]-1-propyl-piperidin-1-ium-4-amine

Systemtic Name: N-[(2S)-pentan-2-yl]-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-[(1S)-1-methylbutyl]-1-propyl-piperidin-1-ium-4-amine CAS Name: N-[(2S)-pentan-2-yl]-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-[(2S)-pentan-2-yl]-1-propylpiperidin-1-ium-4-amine Traditional Name: [(1S)-1-methylbutyl]-(1-propylpiperidin-1-ium-4-yl)amine Formula: C13H29N2+ MolecularWeight: 213.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1CC[NH+](CC1)CCC

Isomeric SMILES

CCC[C@H](C)NC1CC[NH+](CC1)CCC

InChI

InChI=1S/C13H28N2/c1-4-6-12(3)14-13-7-10-15(9-5-2)11-8-13/h12-14H,4-11H2,1-3H3/p+1/t12-/m0/s1