4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C25H29ClN3O2+ MolecularWeight: 438.96966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C(=O)OC4=CC=CC=C43)C[NH+]5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C(=O)OC4=CC=CC=C43)C[NH+]5CCCC5

InChI

InChI=1S/C25H28ClN3O2/c1-18-8-9-19(26)16-22(18)28-12-14-29(15-13-28)24-20-6-2-3-7-23(20)31-25(30)21(24)17-27-10-4-5-11-27/h2-3,6-9,16H,4-5,10-15,17H2,1H3/p+1