N-[2-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine

Systemtic Name: N-[2-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine Openeye Name: N-[2-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine CAS Name: N-[2-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)ethyl]-3-pentanamine IUPAC Name: N-[2-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine Traditional Name: 1-ethylpropyl-[2-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)ethyl]amine Formula: C16H31N2+ MolecularWeight: 251.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC[N+]1(CC2CC=CCC2C1)C

Isomeric SMILES

CCC(CC)NCC[N+]1(CC2CC=CCC2C1)C

InChI

InChI=1S/C16H31N2/c1-4-16(5-2)17-10-11-18(3)12-14-8-6-7-9-15(14)13-18/h6-7,14-17H,4-5,8-13H2,1-3H3/q+1