1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)[C@H]3CCC[C@@H](C3)C)OC

InChI

InChI=1S/C21H34N2O2/c1-4-25-21-15-18(8-9-20(21)24-3)16-22-10-12-23(13-11-22)19-7-5-6-17(2)14-19/h8-9,15,17,19H,4-7,10-14,16H2,1-3H3/p+1/t17-,19-/m0/s1