[3-azanyl-5-(azepan-1-yl)-6-chloranyl-pyrazin-2-yl]carbonyl-[bis(azanyl)methylidene]azanium

Systemtic Name: [3-azanyl-5-(azepan-1-yl)-6-chloranyl-pyrazin-2-yl]carbonyl-[bis(azanyl)methylidene]azanium Openeye Name: [3-amino-5-(azepan-1-yl)-6-chloro-pyrazine-2-carbonyl]-(diaminomethylene)ammonium CAS Name: [[3-amino-5-(1-azepanyl)-6-chloro-2-pyrazinyl]-oxomethyl]-(diaminomethylidene)ammonium IUPAC Name: [3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carbonyl]-(diaminomethylidene)azanium Traditional Name: [3-amino-5-(azepan-1-yl)-6-chloro-pyrazinoyl]-(diaminomethylene)ammonium Formula: C12H19ClN7O+ MolecularWeight: 312.77856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)[NH+]=C(N)N)N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)[NH+]=C(N)N)N

InChI

InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)/p+1