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

Systemtic Name: 1-(3-methoxyphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(3-methoxyphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(3-methoxyphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(3-methoxyphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-methoxyphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-15-5-3-6-16(13-15)19-9-11-20(12-10-19)17-7-4-8-18(14-17)21-2/h4,7-8,14-16H,3,5-6,9-13H2,1-2H3/p+1/t15-,16+/m1/s1