(3-azanylpyrazin-2-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (3-azanylpyrazin-2-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (3-aminopyrazin-2-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (3-amino-2-pyrazinyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (3-aminopyrazin-2-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (3-aminopyrazin-2-yl)-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C17H21FN5O+ MolecularWeight: 330.379943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NC=CN=C2N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NC=CN=C2N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5O/c18-14-4-2-13(3-5-14)12-22-8-1-9-23(11-10-22)17(24)15-16(19)21-7-6-20-15/h2-7H,1,8-12H2,(H2,19,21)/p+1