[(3S,5S)-5-methylheptan-3-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C17H38N2+2 MolecularWeight: 270.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC[NH+]1CCC(CC1)C

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCC[NH+]1CCC(CC1)C

InChI

InChI=1S/C17H36N2/c1-5-15(3)14-17(6-2)18-10-7-11-19-12-8-16(4)9-13-19/h15-18H,5-14H2,1-4H3/p+2/t15-,17-/m0/s1