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

Systemtic Name: (3-phenylmethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (3-benzyloxyphenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione CAS Name: (3-phenylmethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-phenylmethoxyphenyl)methanethione Traditional Name: (3-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=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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