2-phenylmethoxy-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzothiazepine

Systemtic Name: 2-phenylmethoxy-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzothiazepine Openeye Name: 2-benzyloxy-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzothiazepine CAS Name: 2-phenylmethoxy-6-(1-piperazin-4-iumyl)benzo[b][1,4]benzothiazepine IUPAC Name: 2-phenylmethoxy-6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepine Traditional Name: 2-benzoxy-6-piperazin-4-ium-1-yl-benzo[b][1,4]benzothiazepine Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)OCC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)OCC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C24H23N3OS/c1-2-6-18(7-3-1)17-28-19-10-11-21-23(16-19)29-22-9-5-4-8-20(22)24(26-21)27-14-12-25-13-15-27/h1-11,16,25H,12-15,17H2/p+1