methyl N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]carbamate

Systemtic Name: methyl N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]carbamate Openeye Name: methyl N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]carbamate CAS Name: N-[(2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]carbamate Traditional Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]carbamic acid methyl ester Formula: C19H24FN4O2+ MolecularWeight: 359.417863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)NC[C@H](C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4O2/c1-26-19(25)22-14-18(15-3-2-8-21-13-15)24-11-9-23(10-12-24)17-6-4-16(20)5-7-17/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)/p+1/t18-/m1/s1