7-methyl-6-propan-2-yl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(C)C

InChI

InChI=1S/C23H27N3O2/c1-16(2)19-14-20-18(13-23(27)28-21(20)12-17(19)3)15-25-8-10-26(11-9-25)22-6-4-5-7-24-22/h4-7,12-14,16H,8-11,15H2,1-3H3/p+2