(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethanamine

Systemtic Name: (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethanamine Openeye Name: (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethanamine CAS Name: (2R)-N-[[4-(1-imidazolyl)phenyl]methyl]-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethanamine IUPAC Name: (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethanamine Traditional Name: (4-imidazol-1-ylbenzyl)-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amine Formula: C21H28N5S+ MolecularWeight: 382.54552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNCC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNCC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CS4

InChI

InChI=1S/C21H27N5S/c1-24-10-12-25(13-11-24)20(21-3-2-14-27-21)16-23-15-18-4-6-19(7-5-18)26-9-8-22-17-26/h2-9,14,17,20,23H,10-13,15-16H2,1H3/p+1/t20-/m1/s1