N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C27H34N5O2S+ MolecularWeight: 492.65616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CN4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CN4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C27H33N5O2S/c1-21-8-7-11-23-26(21)28-27(35-23)32(18-22-9-3-2-4-10-22)25(34)20-30-16-14-29(15-17-30)19-24(33)31-12-5-6-13-31/h2-4,7-11H,5-6,12-20H2,1H3/p+1