(2S)-2-(2,3-dihydroindol-1-yl)-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: (2S)-2-(2,3-dihydroindol-1-yl)-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: (2S)-2-indolin-1-yl-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: (2S)-2-(2,3-dihydroindol-1-yl)-3-methyl-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-(2,3-dihydroindol-1-yl)-3-methyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: (2S)-2-indolin-1-yl-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH2+]CC1)N2CCC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH2+]CC1)N2CCC3=CC=CC=C32

InChI

InChI=1S/C17H25N3O/c1-13(2)16(17(21)19-11-8-18-9-12-19)20-10-7-14-5-3-4-6-15(14)20/h3-6,13,16,18H,7-12H2,1-2H3/p+1/t16-/m0/s1