N-[[dimethylamino-(4-ethylpiperazin-1-yl)phosphinothioyl]-(4-ethylpiperazin-1-ium-1-ylidene)methyl]aniline

Systemtic Name: N-[[dimethylamino-(4-ethylpiperazin-1-yl)phosphinothioyl]-(4-ethylpiperazin-1-ium-1-ylidene)methyl]aniline Openeye Name: N-[[dimethylamino-(4-ethylpiperazin-1-yl)phosphinothioyl]-(4-ethylpiperazin-1-ium-1-ylidene)methyl]aniline CAS Name: N-[[dimethylamino-(4-ethyl-1-piperazinyl)phosphinothioyl]-(4-ethyl-1-piperazin-1-iumylidene)methyl]aniline IUPAC Name: N-[[dimethylamino-(4-ethylpiperazin-1-yl)phosphinothioyl]-(4-ethylpiperazin-1-ium-1-ylidene)methyl]aniline Traditional Name: [[anilino-(4-ethylpiperazin-1-ium-1-ylidene)methyl]-(4-ethylpiperazino)thiophosphoryl]-dimethyl-amine Formula: C21H38N6PS+ MolecularWeight: 437.605381

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)P(=S)(C(=[N+]2CCN(CC2)CC)NC3=CC=CC=C3)N(C)C

Isomeric SMILES

CCN1CCN(CC1)[P@](=S)(C(=[N+]2CCN(CC2)CC)NC3=CC=CC=C3)N(C)C

InChI

InChI=1S/C21H37N6PS/c1-5-24-12-16-26(17-13-24)21(22-20-10-8-7-9-11-20)28(29,23(3)4)27-18-14-25(6-2)15-19-27/h7-11H,5-6,12-19H2,1-4H3/p+1/t28-/m0/s1