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

Systemtic Name: 1-(2-adamantyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium Openeye Name: 1-(2-adamantyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-(2-adamantyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium IUPAC Name: 1-(2-adamantyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium Traditional Name: 1-(2-adamantyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H32N2/c1-3-13(2)19-4-6-20(7-5-19)18-16-9-14-8-15(11-16)12-17(18)10-14/h13-18H,3-12H2,1-2H3/p+2/t13-,14?,15?,16?,17?,18?/m0/s1