(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: (2S)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H32N4O2/c1-17-22(19-8-4-5-9-20(19)24-17)23(29)18(2)26-14-12-25(13-15-26)16-21(28)27-10-6-3-7-11-27/h4-5,8-9,18,24H,3,6-7,10-16H2,1-2H3/p+1/t18-/m0/s1