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

Systemtic Name: 1-[(2R)-4-phenylbutan-2-yl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-[(2R)-4-phenylbutan-2-yl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3/p+1/t19-/m1/s1