(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H28N4O2S+2 MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H26N4O2S/c1-2-21-20(26)22-19(25)18(16-7-4-3-5-8-16)24-12-10-23(11-13-24)15-17-9-6-14-27-17/h3-9,14,18H,2,10-13,15H2,1H3,(H2,21,22,25,26)/p+2/t18-/m0/s1