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

Systemtic Name: 1-[(3R)-3-phenylbutyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3R)-3-phenylbutyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3R)-3-phenylbutyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3R)-3-phenylbutyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(3R)-3-phenylbutyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H27N3+2 MolecularWeight: 297.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3/c1-17(18-7-3-2-4-8-18)10-12-21-13-15-22(16-14-21)19-9-5-6-11-20-19/h2-9,11,17H,10,12-16H2,1H3/p+2/t17-/m1/s1