(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-allyloxy-3-chloro-5-ethoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione CAS Name: (3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methanethione Traditional Name: (4-allyloxy-3-chloro-5-ethoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione Formula: C23H28ClN2O2S+ MolecularWeight: 431.99862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O2S/c1-3-14-28-22-20(24)15-19(16-21(22)27-4-2)23(29)26-12-10-25(11-13-26)17-18-8-6-5-7-9-18/h3,5-9,15-16H,1,4,10-14,17H2,2H3/p+1