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

Systemtic Name: 1-[(4-butoxy-3-ethoxy-phenyl)methyl]piperidin-1-ium-4-amine Openeye Name: 1-[(4-butoxy-3-ethoxy-phenyl)methyl]piperidin-1-ium-4-amine CAS Name: 1-[(4-butoxy-3-ethoxyphenyl)methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[(4-butoxy-3-ethoxyphenyl)methyl]piperidin-1-ium-4-amine Traditional Name: [1-(4-butoxy-3-ethoxy-benzyl)piperidin-1-ium-4-yl]amine Formula: C18H31N2O2+ MolecularWeight: 307.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N)OCC

InChI

InChI=1S/C18H30N2O2/c1-3-5-12-22-17-7-6-15(13-18(17)21-4-2)14-20-10-8-16(19)9-11-20/h6-7,13,16H,3-5,8-12,14,19H2,1-2H3/p+1