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

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]butan-1-one Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H25N3OS/c25-21(9-3-5-17-15-22-20-8-2-1-7-19(17)20)24-12-10-23(11-13-24)16-18-6-4-14-26-18/h1-2,4,6-8,14-15,22H,3,5,9-13,16H2/p+1