1-[[4-(2,3,5-trimethylphenoxy)phenyl]methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[[4-(2,3,5-trimethylphenoxy)phenyl]methyl]piperidin-1-ium-4-amine Openeye Name: 1-[[4-(2,3,5-trimethylphenoxy)phenyl]methyl]piperidin-1-ium-4-amine CAS Name: 1-[[4-(2,3,5-trimethylphenoxy)phenyl]methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[[4-(2,3,5-trimethylphenoxy)phenyl]methyl]piperidin-1-ium-4-amine Traditional Name: [1-[4-(2,3,5-trimethylphenoxy)benzyl]piperidin-1-ium-4-yl]amine Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)N)C)C

InChI

InChI=1S/C21H28N2O/c1-15-12-16(2)17(3)21(13-15)24-20-6-4-18(5-7-20)14-23-10-8-19(22)9-11-23/h4-7,12-13,19H,8-11,14,22H2,1-3H3/p+1