1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium CAS Name: 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[3-(3-nitrophenoxy)propyl]piperidin-1-ium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O3/c24-23(25)20-8-4-9-21(17-20)26-15-5-12-22-13-10-19(11-14-22)16-18-6-2-1-3-7-18/h1-4,6-9,17,19H,5,10-16H2/p+1