2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-1-piperazin-1-yl-propan-1-one Openeye Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-1-piperazin-1-yl-propan-1-one CAS Name: 2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-methyl-1-(1-piperazinyl)-1-propanone IUPAC Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one Traditional Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-1-piperazino-propan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C)(C)C(=O)N2CCNCC2

Isomeric SMILES

CC[C@H]1CCCC[NH+]1C(C)(C)C(=O)N2CCNCC2

InChI

InChI=1S/C15H29N3O/c1-4-13-7-5-6-10-18(13)15(2,3)14(19)17-11-8-16-9-12-17/h13,16H,4-12H2,1-3H3/p+1/t13-/m0/s1