(2R)-2-(6-chloranyl-9H-carbazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(6-chloranyl-9H-carbazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(6-chloro-9H-carbazol-2-yl)propan-1-one CAS Name: (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(6-chloro-9H-carbazol-2-yl)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(6-chloro-9H-carbazol-2-yl)propan-1-one Formula: C26H27ClN3O+ MolecularWeight: 432.96508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26ClN3O/c1-18(20-7-9-22-23-16-21(27)8-10-24(23)28-25(22)15-20)26(31)30-13-11-29(12-14-30)17-19-5-3-2-4-6-19/h2-10,15-16,18,28H,11-14,17H2,1H3/p+1/t18-/m1/s1