(3S)-N-cyclopropyl-1-[1-(1H-indazol-3-ylcarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(1H-indazol-3-ylcarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(1H-indazole-3-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[1H-indazol-3-yl(oxo)methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(1H-indazole-3-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43)C(=O)NC5CC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43)C(=O)NC5CC5

InChI

InChI=1S/C22H29N5O2/c28-21(23-16-7-8-16)15-4-3-11-27(14-15)17-9-12-26(13-10-17)22(29)20-18-5-1-2-6-19(18)24-25-20/h1-2,5-6,15-17H,3-4,7-14H2,(H,23,28)(H,24,25)/p+1/t15-/m0/s1