N-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl]pentan-3-amine

Systemtic Name: N-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl]pentan-3-amine Openeye Name: N-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl]pentan-3-amine CAS Name: N-[2-[1-(1-methyl-4-pyridin-1-iumyl)-2-phenylethoxy]ethyl]-3-pentanamine IUPAC Name: N-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenylethoxy]ethyl]pentan-3-amine Traditional Name: 1-ethylpropyl-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl]amine Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCOC(CC1=CC=CC=C1)C2=CC=[N+](C=C2)C

Isomeric SMILES

CCC(CC)NCCOC(CC1=CC=CC=C1)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C21H31N2O/c1-4-20(5-2)22-13-16-24-21(17-18-9-7-6-8-10-18)19-11-14-23(3)15-12-19/h6-12,14-15,20-22H,4-5,13,16-17H2,1-3H3/q+1