6-tert-butyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-carbonitrile Openeye Name: 6-tert-butyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-carbonitrile CAS Name: 6-tert-butyl-2-(1-pyrrolidinyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-tert-butyl-2-pyrrolidin-1-ylquinolin-1-ium-3-carbonitrile Traditional Name: 6-tert-butyl-2-pyrrolidino-quinolin-1-ium-3-carbonitrile Formula: C18H22N3+ MolecularWeight: 280.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCCC3

InChI

InChI=1S/C18H21N3/c1-18(2,3)15-6-7-16-13(11-15)10-14(12-19)17(20-16)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3/p+1