2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-methyl-N-(3-thenyl)acetamide Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-26(18-21-12-17-30-20-21)24(29)19-27-13-15-28(16-14-27)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-12,17,20,25H,13-16,18-19H2,1H3/p+1