(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Formula: C17H25N3O+2 MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-12-16(14-6-4-5-7-15(14)18-12)17(21)13(2)20-10-8-19(3)9-11-20/h4-7,13,18H,8-11H2,1-3H3/p+2/t13-/m0/s1