N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O2/c25-20-8-6-19(7-9-20)24-12-10-23(11-13-24)15-21(26)22-18-5-4-16-2-1-3-17(16)14-18/h4-9,14,25H,1-3,10-13,15H2,(H,22,26)/p+1