1-[(2S)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(1-methyl-2-pyrrolyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Formula: C14H27N3+2 MolecularWeight: 237.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CC=CN2C

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC=CN2C

InChI

InChI=1S/C14H25N3/c1-4-13(2)17-10-8-16(9-11-17)12-14-6-5-7-15(14)3/h5-7,13H,4,8-12H2,1-3H3/p+2/t13-/m0/s1