N-(3-azanyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-methyl-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-amino-4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-methylphenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-4-methyl-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H26N4O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15,21H2,1H3,(H,22,25)/p+1