(2-phenylmethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (2-phenylmethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (2-benzyloxyphenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione CAS Name: (2-phenylmethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenylmethoxyphenyl)methanethione Traditional Name: (2-benzoxyphenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione Formula: C25H27N2OS+ MolecularWeight: 403.55968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c29-25(27-17-15-26(16-18-27)19-21-9-3-1-4-10-21)23-13-7-8-14-24(23)28-20-22-11-5-2-6-12-22/h1-14H,15-20H2/p+1