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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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