N-carbamimidoyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carbonitrilium

Systemtic Name: N-carbamimidoyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carbonitrilium Openeye Name: N-carbamimidoyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carbonitrilium CAS Name: N-carbamimidoyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-piperidinecarbonitrilium IUPAC Name: N-carbamimidoyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carbonitrilium Traditional Name: N-amidino-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carbonitrilium Formula: C18H20N7S+ MolecularWeight: 366.4633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#[N+]C(=N)N)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

Isomeric SMILES

C1CN(CCC1C#[N+]C(=N)N)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

InChI

InChI=1S/C18H20N7S/c19-18(20)23-10-12-3-7-25(8-4-12)11-13-1-2-15-14(9-13)24-16-17(26-15)22-6-5-21-16/h1-2,5-6,9,12H,3-4,7-8,11H2,(H3,19,20)(H,21,24)/q+1