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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=O)OC4=CC=CC=C43)C[NH+]5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=O)OC4=CC=CC=C43)C[NH+]5CCCC5

InChI

InChI=1S/C25H29N3O3/c1-30-20-10-8-19(9-11-20)27-14-16-28(17-15-27)24-21-6-2-3-7-23(21)31-25(29)22(24)18-26-12-4-5-13-26/h2-3,6-11H,4-5,12-18H2,1H3/p+1