2-(4-ethylpiperazin-1-ium-1-yl)-N-[(5-methylthiophen-2-yl)methyl]-1,3-dihydroindene-2-carboxamide

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(5-methylthiophen-2-yl)methyl]-1,3-dihydroindene-2-carboxamide Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(5-methyl-2-thienyl)methyl]indane-2-carboxamide CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-N-[(5-methyl-2-thiophenyl)methyl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(5-methylthiophen-2-yl)methyl]-1,3-dihydroindene-2-carboxamide Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(5-methyl-2-thienyl)methyl]indane-2-carboxamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCC4=CC=C(S4)C

Isomeric SMILES

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCC4=CC=C(S4)C

InChI

InChI=1S/C22H29N3OS/c1-3-24-10-12-25(13-11-24)22(14-18-6-4-5-7-19(18)15-22)21(26)23-16-20-9-8-17(2)27-20/h4-9H,3,10-16H2,1-2H3,(H,23,26)/p+1