1-[(R)-(4-fluoranyl-3-methyl-phenyl)-piperidin-1-ium-4-yl-methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(R)-(4-fluoranyl-3-methyl-phenyl)-piperidin-1-ium-4-yl-methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(R)-(4-fluoro-3-methyl-phenyl)-piperidin-1-ium-4-yl-methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(R)-(4-fluoro-3-methylphenyl)-(4-piperidin-1-iumyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(R)-(4-fluoro-3-methylphenyl)-piperidin-1-ium-4-ylmethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(R)-(4-fluoro-3-methyl-phenyl)-piperidin-1-ium-4-yl-methyl]-4-methyl-piperazin-4-ium Formula: C18H30FN3+2 MolecularWeight: 307.449303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2CC[NH2+]CC2)N3CC[NH+](CC3)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](C2CC[NH2+]CC2)N3CC[NH+](CC3)C)F

InChI

InChI=1S/C18H28FN3/c1-14-13-16(3-4-17(14)19)18(15-5-7-20-8-6-15)22-11-9-21(2)10-12-22/h3-4,13,15,18,20H,5-12H2,1-2H3/p+2/t18-/m1/s1