(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxyphenyl)acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-methoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxyphenyl)acetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxyphenyl)acetonitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C15H21N3O/c1-3-17-7-9-18(10-8-17)15(12-16)13-5-4-6-14(11-13)19-2/h4-6,11,15H,3,7-10H2,1-2H3/p+1/t15-/m1/s1