2-methoxy-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]aniline

Systemtic Name: 2-methoxy-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]aniline Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methoxy-aniline CAS Name: 2-methoxy-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methoxyaniline Traditional Name: [5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methoxy-phenyl]amine Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H26N2O/c1-23-20-8-7-18(14-19(20)21)15-22-11-9-17(10-12-22)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15,21H2,1H3/p+1