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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(4-ethoxybenzyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)[C@H]3CCC[C@H](C3)C

InChI

InChI=1S/C20H32N2O/c1-3-23-20-9-7-18(8-10-20)16-21-11-13-22(14-12-21)19-6-4-5-17(2)15-19/h7-10,17,19H,3-6,11-16H2,1-2H3/p+2/t17-,19+/m1/s1