[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenothiazin-10-yl-methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenothiazin-10-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenothiazin-10-yl-methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(10-phenothiazinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenothiazin-10-ylmethanone Traditional Name: phenothiazin-10-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C25H23N3O3S/c29-25(28-19-5-1-3-7-23(19)32-24-8-4-2-6-20(24)28)27-13-11-26(12-14-27)16-18-9-10-21-22(15-18)31-17-30-21/h1-10,15H,11-14,16-17H2/p+1