(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-(2-thienylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-(2-thenyl)piperazin-4-ium-2-one Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C18H27N3O2S/c22-17(20-9-4-2-1-3-5-10-20)13-16-18(23)19-8-11-21(16)14-15-7-6-12-24-15/h6-7,12,16H,1-5,8-11,13-14H2,(H,19,23)/p+1/t16-/m1/s1