(2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-15(27-18-4-2-17(3-5-18)23(25)26)19(24)22-12-10-21(11-13-22)14-16-6-8-20-9-7-16/h2-9,15H,10-14H2,1H3/p+1/t15-/m1/s1