N-(5-azanyl-2-methoxy-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(5-amino-2-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-26-20-8-7-18(22)14-19(20)23-21(25)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15,22H2,1H3,(H,23,25)/p+1