1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium

Systemtic Name: 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium Openeye Name: 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium CAS Name: 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium IUPAC Name: 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium Traditional Name: 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-18(19-7-4-3-5-8-19)11-12-22-13-15-23(16-14-22)20-9-6-10-21(17-20)24-2/h3-10,17-18H,11-16H2,1-2H3/p+1/t18-/m1/s1