[(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R)-1-[(3-nitrophenyl)methyl]-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R)-1-(3-nitrobenzyl)piperidin-1-ium-3-yl]-pyrrolidino-methanone Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c21-17(19-9-1-2-10-19)15-6-4-8-18(13-15)12-14-5-3-7-16(11-14)20(22)23/h3,5,7,11,15H,1-2,4,6,8-10,12-13H2/p+1/t15-/m1/s1