(2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-3-methyl-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-2-[(3R)-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O/c1-12(2)14(18-8-4-5-13(3)11-18)15(19)17-9-6-16-7-10-17/h12-14,16H,4-11H2,1-3H3/p+1/t13-,14+/m1/s1