phenyl N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]carbamate

Systemtic Name: phenyl N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]carbamate Openeye Name: phenyl N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]carbamate CAS Name: N-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]carbamic acid phenyl ester Formula: C20H29N3O2S+2 MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC=CS2)C(C)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S/c1-3-22-11-13-23(14-12-22)19(18-10-7-15-26-18)16(2)21-20(24)25-17-8-5-4-6-9-17/h4-10,15-16,19H,3,11-14H2,1-2H3,(H,21,24)/p+2/t16-,19-/m0/s1