carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-methyl-azanium; 1-(2-cyclobutylethyl)piperidine

Systemtic Name: carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-methyl-azanium; 1-(2-cyclobutylethyl)piperidine Openeye Name: carbamimidoyl-cyano-(4-fluorobenzoyl)-methyl-ammonium; 1-(2-cyclobutylethyl)piperidine CAS Name: carbamimidoyl-cyano-[(4-fluorophenyl)-oxomethyl]-methylammonium; 1-(2-cyclobutylethyl)piperidine IUPAC Name: carbamimidoyl-cyano-(4-fluorobenzoyl)-methylazanium; 1-(2-cyclobutylethyl)piperidine Traditional Name: amidino-cyano-(4-fluorobenzoyl)-methyl-ammonium; 1-(2-cyclobutylethyl)piperidine Formula: C21H31FN5O+ MolecularWeight: 388.502143

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C#N)(C(=O)C1=CC=C(C=C1)F)C(=N)N.C1CCN(CC1)CCC2CCC2

Isomeric SMILES

C[N+](C#N)(C(=O)C1=CC=C(C=C1)F)C(=N)N.C1CCN(CC1)CCC2CCC2

InChI

InChI=1S/C11H21N.C10H10FN4O/c1-2-8-12(9-3-1)10-7-11-5-4-6-11;1-15(6-12,10(13)14)9(16)7-2-4-8(11)5-3-7/h11H,1-10H2;2-5H,1H3,(H3,13,14)/q;+1