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

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-amino-2-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-26-19-8-7-17(21)13-18(19)22-20(25)15-24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15,21H2,1H3,(H,22,25)/p+1