[1-[(3-fluorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: [1-[(3-fluorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: [1-[(3-fluorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: [1-[(3-fluorophenyl)methyl]-3-indolyl]-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: [1-[(3-fluorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: [1-(3-fluorobenzyl)indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C21H23FN3S+ MolecularWeight: 368.490823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN3S/c1-23-9-11-24(12-10-23)21(26)19-15-25(20-8-3-2-7-18(19)20)14-16-5-4-6-17(22)13-16/h2-8,13,15H,9-12,14H2,1H3/p+1