carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-[4-(2-piperidin-1-ylethyl)phenyl]azanium

Systemtic Name: carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-[4-(2-piperidin-1-ylethyl)phenyl]azanium Openeye Name: carbamimidoyl-cyano-(4-fluorobenzoyl)-[4-[2-(1-piperidyl)ethyl]phenyl]ammonium CAS Name: carbamimidoyl-cyano-[(4-fluorophenyl)-oxomethyl]-[4-[2-(1-piperidinyl)ethyl]phenyl]ammonium IUPAC Name: carbamimidoyl-cyano-(4-fluorobenzoyl)-[4-(2-piperidin-1-ylethyl)phenyl]azanium Traditional Name: amidino-cyano-(4-fluorobenzoyl)-[4-(2-piperidinoethyl)phenyl]ammonium Formula: C22H25FN5O+ MolecularWeight: 394.465203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC=C(C=C2)[N+](C#N)(C(=O)C3=CC=C(C=C3)F)C(=N)N

Isomeric SMILES

C1CCN(CC1)CCC2=CC=C(C=C2)[N+](C#N)(C(=O)C3=CC=C(C=C3)F)C(=N)N

InChI

InChI=1S/C22H25FN5O/c23-19-8-6-18(7-9-19)21(29)28(16-24,22(25)26)20-10-4-17(5-11-20)12-15-27-13-2-1-3-14-27/h4-11H,1-3,12-15H2,(H3,25,26)/q+1