2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one

Systemtic Name: 2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one Openeye Name: 2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one CAS Name: 2,2-dimethyl-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-1-propanone IUPAC Name: 2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-ylpropan-1-one Traditional Name: 2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazino-propan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(C)(C)C(=O)N2CCNCC2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(C)(C)C(=O)N2CCNCC2

InChI

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