2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H28N4OS/c1-16-13-19(17(2)27(16)18-7-8-18)21(28)14-25-9-11-26(12-10-25)15-23-24-20-5-3-4-6-22(20)29-23/h3-6,13,18H,7-12,14-15H2,1-2H3/p+1