8-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 8-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 8-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 8-chloro-6-(4-methyl-1-piperazin-4-iumyl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 8-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzoxazepine Formula: C18H19ClN3O+ MolecularWeight: 328.81596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3/p+1