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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-2-keto-ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-3-27-21(26)24-12-10-23(11-13-24)19(25)15-22-20(18-5-4-14-28-18)17-8-6-16(2)7-9-17/h4-9,14,20,22H,3,10-13,15H2,1-2H3/p+1/t20-/m1/s1