4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-cyclopropyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Formula: C16H29N4OS+ MolecularWeight: 325.49266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C16H28N4OS/c21-15(19-7-3-1-2-4-8-19)13-18-9-11-20(12-10-18)16(22)17-14-5-6-14/h14H,1-13H2,(H,17,22)/p+1