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

Systemtic Name: [1-[(4-chlorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: [1-[(4-chlorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: [1-[(4-chlorophenyl)methyl]-3-indolyl]-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: [1-[(4-chlorophenyl)methyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: [1-(4-chlorobenzyl)indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C21H23ClN3S+ MolecularWeight: 384.94542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3S/c1-23-10-12-24(13-11-23)21(26)19-15-25(20-5-3-2-4-18(19)20)14-16-6-8-17(22)9-7-16/h2-9,15H,10-14H2,1H3/p+1