1-(3-methoxyphenyl)-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3-methoxyphenyl)-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Openeye Name: 1-[[(4R)-4-isopropenylcyclohexen-1-yl]methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-(3-methoxyphenyl)-4-[[(4R)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-methoxyphenyl)-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Traditional Name: 1-[[(4R)-4-isopropenylcyclohexen-1-yl]methyl]-4-(3-methoxyphenyl)piperazin-1-ium Formula: C21H31N2O+ MolecularWeight: 327.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(=C)[C@@H]1CCC(=CC1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H30N2O/c1-17(2)19-9-7-18(8-10-19)16-22-11-13-23(14-12-22)20-5-4-6-21(15-20)24-3/h4-7,15,19H,1,8-14,16H2,2-3H3/p+1/t19-/m0/s1