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

Systemtic Name: [(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3R)-1-[(3-nitrophenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3R)-1-(3-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(20-10-2-1-3-11-20)16-7-5-9-19(14-16)13-15-6-4-8-17(12-15)21(23)24/h4,6,8,12,16H,1-3,5,7,9-11,13-14H2/p+1/t16-/m1/s1