3-[3-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propionitrile Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C26H28N4O2/c27-9-3-10-30-18-23(22-4-1-2-5-24(22)30)25(31)19-29-13-11-28(12-14-29)17-20-6-7-26-21(16-20)8-15-32-26/h1-2,4-7,16,18H,3,8,10-15,17,19H2/p+1