2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-cyclopropylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H30N4OS/c28-23(27(19-10-11-19)18-6-2-1-3-7-18)17-26-14-12-25(13-15-26)16-22-24-20-8-4-5-9-21(20)29-22/h4-6,8-9,19H,1-3,7,10-17H2/p+1