4-piperidin-1-ium-1-yl-1-(9H-xanthen-9-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-(9H-xanthen-9-ylcarbonyl)piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(9H-xanthen-9-yl)methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-(9H-xanthene-9-carbonyl)isonipecotamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)N

InChI

InChI=1S/C25H29N3O3/c26-24(30)25(28-14-6-1-7-15-28)12-16-27(17-13-25)23(29)22-18-8-2-4-10-20(18)31-21-11-5-3-9-19(21)22/h2-5,8-11,22H,1,6-7,12-17H2,(H2,26,30)/p+1