1-[[4-(4-propan-2-ylphenoxy)phenyl]methyl]piperidin-1-ium-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-16(2)18-5-9-21(10-6-18)24-20-7-3-17(4-8-20)15-23-13-11-19(22)12-14-23/h3-10,16,19H,11-15,22H2,1-2H3/p+1