[(3R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3R)-1-[(2-nitrophenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3R)-1-(2-nitrobenzyl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3/c22-18(20-11-4-1-5-12-20)16-8-6-10-19(14-16)13-15-7-2-3-9-17(15)21(23)24/h2-3,7,9,16H,1,4-6,8,10-14H2/p+1/t16-/m1/s1