2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[3-methyl-1-(phenylmethyl)indol-2-yl]ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[3-methyl-1-(phenylmethyl)indol-2-yl]ethanamide Openeye Name: N-(1-benzyl-3-methyl-indol-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[3-methyl-1-(phenylmethyl)-2-indolyl]acetamide IUPAC Name: N-(1-benzyl-3-methylindol-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-benzyl-3-methyl-indol-2-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H28N4O3/c1-20-22-10-5-6-11-23(22)31(18-21-8-3-2-4-9-21)26(20)28-25(32)19-29-13-15-30(16-14-29)27(33)24-12-7-17-34-24/h2-12,17H,13-16,18-19H2,1H3,(H,28,32)/p+1