(E)-3-(6-chloranyl-2H-chromen-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-chloranyl-2H-chromen-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-chloro-2H-chromen-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-chloro-2H-1-benzopyran-3-yl)-1-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(6-chloro-2H-chromen-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-chloro-2H-chromen-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H30ClN3O2+2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C=CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H28ClN3O2/c23-20-4-5-21-19(16-20)15-18(17-28-21)3-6-22(27)26-13-11-25(12-14-26)10-9-24-7-1-2-8-24/h3-6,15-16H,1-2,7-14,17H2/p+2/b6-3+