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

Systemtic Name: azepan-1-yl-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-[(2-nitrophenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(2-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(21-12-5-1-2-6-13-21)17-9-7-11-20(15-17)14-16-8-3-4-10-18(16)22(24)25/h3-4,8,10,17H,1-2,5-7,9,11-15H2/p+1/t17-/m0/s1