1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium CAS Name: 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-19(8-9-20-10-12-22(25-2)13-11-20)24-16-14-23(15-17-24)18-21-6-4-3-5-7-21/h3-7,10-13,19H,8-9,14-18H2,1-2H3/p+1/t19-/m1/s1