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

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C)N

InChI

InChI=1S/C21H28N4O/c1-3-17-7-8-18(14-20(17)22)23-21(26)15-24-9-11-25(12-10-24)19-6-4-5-16(2)13-19/h4-8,13-14H,3,9-12,15,22H2,1-2H3,(H,23,26)/p+1