(2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-3-methyl-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazino-butan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C(C)C)C(=O)N2CCNCC2

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C(C)C)C(=O)N2CCNCC2

InChI

InChI=1S/C15H29N3O/c1-12(2)14(17-8-4-13(3)5-9-17)15(19)18-10-6-16-7-11-18/h12-14,16H,4-11H2,1-3H3/p+1/t14-/m0/s1