(2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C(C)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H25N3O3/c1-14-6-7-17-18(13-14)23-15(2)20(17)21(26)16(3)24-8-10-25(11-9-24)22(27)19-5-4-12-28-19/h4-7,12-13,16,23H,8-11H2,1-3H3/p+1/t16-/m0/s1