1-[(1R,3S)-3-methylcyclohexyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c1-16-6-5-9-18(14-16)20-12-10-19(11-13-20)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/p+2/t16-,18+/m0/s1