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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)[C@@H]3CCC[C@@H](C3)C

InChI

InChI=1S/C20H32N2/c1-3-18-7-9-19(10-8-18)16-21-11-13-22(14-12-21)20-6-4-5-17(2)15-20/h7-10,17,20H,3-6,11-16H2,1-2H3/p+2/t17-,20+/m0/s1