1-[(4-ethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)C3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[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+1/t17-,19+/m0/s1