(3-methoxy-4-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methoxy-4-phenylmethoxyphenyl)methanethione Traditional Name: (4-benzoxy-3-methoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione Formula: C26H29N2O2S+ MolecularWeight: 433.58566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2S/c1-29-25-18-23(12-13-24(25)30-20-22-10-6-3-7-11-22)26(31)28-16-14-27(15-17-28)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19-20H2,1H3/p+1