(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-1-one Formula: C24H31N3O2+2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-18-23(21-10-6-7-11-22(21)25-18)24(28)19(2)27-14-12-26(13-15-27)16-17-29-20-8-4-3-5-9-20/h3-11,19,25H,12-17H2,1-2H3/p+2/t19-/m0/s1