2-[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-4,6-dimethyl-nicotinonitrile Formula: C15H23N4O+ MolecularWeight: 275.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](C(C2)CCO)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+]([C@H](C2)CCO)C)C

InChI

InChI=1S/C15H22N4O/c1-11-8-12(2)17-15(14(11)9-16)19-6-5-18(3)13(10-19)4-7-20/h8,13,20H,4-7,10H2,1-3H3/p+1/t13-/m0/s1