1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(3-phenylpropyl)piperazine-1,4-diium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CCCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CCCC2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-3-16(2)19-14-12-18(13-15-19)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3/p+2/t16-/m0/s1