2-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C20H26N4O3S/c1-3-27-17-7-5-4-6-16(17)24-11-9-23(10-12-24)14(2)19(26)22-20-15(18(21)25)8-13-28-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,21,25)(H,22,26)/p+1/t14-/m1/s1