[1-[(3S,5S)-5-methylheptan-3-yl]piperidin-4-yl]azanium

Systemtic Name: [1-[(3S,5S)-5-methylheptan-3-yl]piperidin-4-yl]azanium Openeye Name: [1-[(1S,3S)-1-ethyl-3-methyl-pentyl]-4-piperidyl]ammonium CAS Name: [1-[(3S,5S)-5-methylheptan-3-yl]-4-piperidinyl]ammonium IUPAC Name: [1-[(3S,5S)-5-methylheptan-3-yl]piperidin-4-yl]azanium Traditional Name: [1-[(1S,3S)-1-ethyl-3-methyl-pentyl]-4-piperidyl]ammonium Formula: C13H29N2+ MolecularWeight: 213.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)N1CCC(CC1)[NH3+]

Isomeric SMILES

CC[C@H](C)C[C@H](CC)N1CCC(CC1)[NH3+]

InChI

InChI=1S/C13H28N2/c1-4-11(3)10-13(5-2)15-8-6-12(14)7-9-15/h11-13H,4-10,14H2,1-3H3/p+1/t11-,13-/m0/s1