(3R)-3-[[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one

Systemtic Name: (3R)-3-[[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: (3R)-3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)anilino]-2-propyl-isoindolin-1-one CAS Name: (3R)-3-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: (3R)-3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)anilino]-2-propyl-3H-isoindol-1-one Traditional Name: (3R)-3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)anilino]-2-propyl-isoindolin-1-one Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC

Isomeric SMILES

CCCN1[C@H](C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC

InChI

InChI=1S/C24H30N4O2/c1-3-12-28-22(20-10-5-6-11-21(20)24(28)30)25-19-9-7-8-18(17-19)23(29)27-15-13-26(4-2)14-16-27/h5-11,17,22,25H,3-4,12-16H2,1-2H3/p+1/t22-/m1/s1