cyano-(4-fluorophenyl)carbonyl-methyl-[N-(4-oxidanylpiperidin-1-yl)-N'-propyl-carbamimidoyl]azanium

Systemtic Name: cyano-(4-fluorophenyl)carbonyl-methyl-[N-(4-oxidanylpiperidin-1-yl)-N'-propyl-carbamimidoyl]azanium Openeye Name: cyano-(4-fluorobenzoyl)-[N-(4-hydroxy-1-piperidyl)-N'-propyl-carbamimidoyl]-methyl-ammonium CAS Name: cyano-[(4-fluorophenyl)-oxomethyl]-[[(4-hydroxy-1-piperidinyl)amino]-propyliminomethyl]-methylammonium IUPAC Name: cyano-(4-fluorobenzoyl)-[N-(4-hydroxypiperidin-1-yl)-N'-propylcarbamimidoyl]-methylazanium Traditional Name: cyano-(4-fluorobenzoyl)-[N-(4-hydroxypiperidino)-N'-propyl-amidino]-methyl-ammonium Formula: C18H25FN5O2+ MolecularWeight: 362.421803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NN1CCC(CC1)O)[N+](C)(C#N)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCN=C(NN1CCC(CC1)O)[N+](C)(C#N)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN5O2/c1-3-10-21-18(22-23-11-8-16(25)9-12-23)24(2,13-20)17(26)14-4-6-15(19)7-5-14/h4-7,16,25H,3,8-12H2,1-2H3,(H,21,22)/q+1