1-[(3R)-3-phenylbutyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[(3R)-3-phenylbutyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Openeye Name: 1-[(3R)-3-phenylbutyl]-4-(2-pyridylmethyl)piperazin-1-ium CAS Name: 1-[(3R)-3-phenylbutyl]-4-(2-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-[(3R)-3-phenylbutyl]-4-(pyridin-2-ylmethyl)piperazin-1-ium Traditional Name: 1-[(3R)-3-phenylbutyl]-4-(2-pyridylmethyl)piperazin-1-ium Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)CC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)CC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3/c1-18(19-7-3-2-4-8-19)10-12-22-13-15-23(16-14-22)17-20-9-5-6-11-21-20/h2-9,11,18H,10,12-17H2,1H3/p+1/t18-/m1/s1