N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H27N3O3/c1-29-14-16-30(17-15-29)27(32)21-10-2-5-11-23(21)28-26(31)18-22-19-8-3-6-12-24(19)33-25-13-7-4-9-20(22)25/h2-13,22H,14-18H2,1H3,(H,28,31)/p+1