N-[2-(3,4-diethoxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OCC

InChI

InChI=1S/C22H31N3O3S/c1-3-27-20-8-7-18(16-21(20)28-4-2)9-10-23-22(26)25-13-11-24(12-14-25)17-19-6-5-15-29-19/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,23,26)/p+1