(3S)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(3-methylbutyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(3-methylbutyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-isopentyl-piperazin-4-ium-2-one CAS Name: (3S)-3-[2-(1-azocanyl)-2-oxoethyl]-4-(3-methylbutyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-isoamyl-piperazin-4-ium-2-one Formula: C18H34N3O2+ MolecularWeight: 324.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N2CCCCCCC2

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@@H]1CC(=O)N2CCCCCCC2

InChI

InChI=1S/C18H33N3O2/c1-15(2)8-12-20-13-9-19-18(23)16(20)14-17(22)21-10-6-4-3-5-7-11-21/h15-16H,3-14H2,1-2H3,(H,19,23)/p+1/t16-/m0/s1