(2-azanyl-3-methyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (2-azanyl-3-methyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (2-amino-3-methyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (2-amino-3-methylphenyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2-amino-3-methylphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (2-amino-3-methyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C(=CC=C2)C)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C(=CC=C2)C)N

InChI

InChI=1S/C14H21N3O/c1-3-16-7-9-17(10-8-16)14(18)12-6-4-5-11(2)13(12)15/h4-6H,3,7-10,15H2,1-2H3/p+1