1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-1-ium-4-amine Openeye Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-1-ium-4-amine CAS Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-1-ium-4-amine Traditional Name: [1-[3-(3-phenylpropoxy)benzyl]piperidin-1-ium-4-yl]amine Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N)CC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N)CC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c22-20-11-13-23(14-12-20)17-19-8-4-10-21(16-19)24-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17,22H2/p+1