4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2/c1-19-8-7-10-23(20(19)2)28-14-16-29(17-15-28)25-21-9-3-4-11-24(21)31-26(30)22(25)18-27-12-5-6-13-27/h3-4,7-11H,5-6,12-18H2,1-2H3/p+1