N-propan-2-yl-2-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C23H27N3O3/c1-16(2)24-21(27)15-25-11-13-26(14-12-25)23(28)22-17-7-3-5-9-19(17)29-20-10-6-4-8-18(20)22/h3-10,16,22H,11-15H2,1-2H3,(H,24,27)/p+1