(4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride

Systemtic Name: (4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride Openeye Name: (4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride CAS Name: (4-methyl-4-propan-2-yl-1-piperazin-4-iumyl)-(9H-xanthen-9-yl)methanone chloride IUPAC Name: (4-methyl-4-propan-2-ylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride Traditional Name: (4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C.[Cl-]

Isomeric SMILES

CC(C)[N+]1(CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C.[Cl-]

InChI

InChI=1S/C22H27N2O2.ClH/c1-16(2)24(3)14-12-23(13-15-24)22(25)21-17-8-4-6-10-19(17)26-20-11-7-5-9-18(20)21;/h4-11,16,21H,12-15H2,1-3H3;1H/q+1;/p-1