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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-ethoxy-3-methoxy-phenyl)methanethione CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-ethoxy-3-methoxyphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-ethoxy-3-methoxy-phenyl)methanethione Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-3-25-19-10-9-18(15-20(19)24-2)21(26)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3/p+1