1H-indol-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indol-2-yl-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1H-indol-2-yl-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indol-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indol-2-yl-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C18H19N3OS/c22-18(17-11-15-3-1-2-4-16(15)19-17)21-8-6-20(7-9-21)12-14-5-10-23-13-14/h1-5,10-11,13,19H,6-9,12H2/p+1