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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)[NH+]2CCCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)[NH+]2CCCCCC2

InChI

InChI=1S/C15H29N3O/c1-13(2)14(17-9-5-3-4-6-10-17)15(19)18-11-7-16-8-12-18/h13-14,16H,3-12H2,1-2H3/p+1/t14-/m0/s1