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

Systemtic Name: azepan-1-yl-[(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-[(3-nitrophenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-(3-nitrobenzyl)piperidin-1-ium-3-yl]methanone Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O3/c23-19(21-11-3-1-2-4-12-21)17-8-6-10-20(15-17)14-16-7-5-9-18(13-16)22(24)25/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2/p+1/t17-/m1/s1