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

Systemtic Name: (3-azanylpyrazin-2-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (3-aminopyrazin-2-yl)-(4-benzyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-amino-2-pyrazinyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (3-aminopyrazin-2-yl)-(4-benzyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-aminopyrazin-2-yl)-(4-benzyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C17H22N5O+ MolecularWeight: 312.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O/c18-16-15(19-7-8-20-16)17(23)22-10-4-9-21(11-12-22)13-14-5-2-1-3-6-14/h1-3,5-8H,4,9-13H2,(H2,18,20)/p+1