N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-3-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C20H33FN4O+2 MolecularWeight: 364.500623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H31FN4O/c1-23-11-13-24(14-12-23)10-8-20(26)22-18-6-4-9-25(16-18)15-17-5-2-3-7-19(17)21/h2-3,5,7,18H,4,6,8-16H2,1H3,(H,22,26)/p+2/t18-/m0/s1