(3S)-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-1-naphthalen-1-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-1-naphthalen-1-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-1-[1-naphthalenyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-1-(1-naphthoyl)nipecotamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)NCC4=CC(=[NH+]C=C4)N5CCOCC5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)NCC4=CC(=[NH+]C=C4)N5CCOCC5

InChI

InChI=1S/C27H30N4O3/c32-26(29-18-20-10-11-28-25(17-20)30-13-15-34-16-14-30)22-7-4-12-31(19-22)27(33)24-9-3-6-21-5-1-2-8-23(21)24/h1-3,5-6,8-11,17,22H,4,7,12-16,18-19H2,(H,29,32)/p+1/t22-/m0/s1