6-methyl-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 6-methyl-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]quinolin-1-ium-3-carbonitrile CAS Name: 6-methyl-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinyl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-methyl-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 6-methyl-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazino]quinolin-1-ium-3-carbonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4CCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)[C@H]4CCCO4

InChI

InChI=1S/C20H22N4O2/c1-14-4-5-17-15(11-14)12-16(13-21)19(22-17)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h4-5,11-12,18H,2-3,6-10H2,1H3/p+1/t18-/m1/s1