4-(diphenylmethyl)-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-benzhydryl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-benzhydryl-piperazin-4-ium-1-carbothioamide Formula: C21H26N3S+ MolecularWeight: 352.51624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3S/c1-2-13-22-21(25)24-16-14-23(15-17-24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-12,20H,1,13-17H2,(H,22,25)/p+1