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

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-propan-2-yloxyphenyl)ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-isopropoxyphenyl)acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-propan-2-yloxyphenyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-propan-2-yloxyphenyl)acetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-isopropoxyphenyl)acetonitrile Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O/c1-4-19-8-10-20(11-9-19)17(13-18)15-6-5-7-16(12-15)21-14(2)3/h5-7,12,14,17H,4,8-11H2,1-3H3/p+1/t17-/m1/s1