4-(diphenylmethyl)-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(3-methoxypropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-26-18-8-13-23-22(27)25-16-14-24(15-17-25)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3,(H,23,27)/p+1