azepan-1-yl-[1-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-yl]methanone Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)C[C@@H](COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H31N3O5/c25-19(16-29-20-7-5-6-18(14-20)24(27)28)15-22-12-8-17(9-13-22)21(26)23-10-3-1-2-4-11-23/h5-7,14,17,19,25H,1-4,8-13,15-16H2/p+1/t19-/m0/s1