N-(1-benzothiophen-2-ylmethyl)-2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-29-20-8-4-2-7-17(20)15-26-11-10-24-23(28)19(26)13-22(27)25-14-18-12-16-6-3-5-9-21(16)30-18/h2-9,12,19H,10-11,13-15H2,1H3,(H,24,28)(H,25,27)/p+1/t19-/m1/s1