[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-2-keto-ethyl]-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH2+]C(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH2+][C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-20(25)23-12-10-22(11-13-23)18(24)15-21-19(17-9-6-14-27-17)16-7-4-3-5-8-16/h3-9,14,19,21H,2,10-13,15H2,1H3/p+1/t19-/m1/s1