methyl N-[(2R)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propanoyl]carbamic acid methyl ester Formula: C14H23N3O3S+2 MolecularWeight: 313.41572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C14H21N3O3S/c1-11(13(18)15-14(19)20-2)17-7-5-16(6-8-17)10-12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18,19)/p+2/t11-/m1/s1