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

Systemtic Name: 1-[(3-hexoxyphenyl)methyl]piperidin-1-ium-4-amine Openeye Name: 1-[(3-hexoxyphenyl)methyl]piperidin-1-ium-4-amine CAS Name: 1-[(3-hexoxyphenyl)methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[(3-hexoxyphenyl)methyl]piperidin-1-ium-4-amine Traditional Name: [1-(3-hexoxybenzyl)piperidin-1-ium-4-yl]amine Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N

InChI

InChI=1S/C18H30N2O/c1-2-3-4-5-13-21-18-8-6-7-16(14-18)15-20-11-9-17(19)10-12-20/h6-8,14,17H,2-5,9-13,15,19H2,1H3/p+1