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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H32N2/c1-3-17(2)21-13-15-22(16-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-8,17,19-20H,3,9-16H2,1-2H3/p+2/t17-,19?,20?/m0/s1