6-ethyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-ethyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-carbonitrile Openeye Name: 6-ethyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-carbonitrile CAS Name: 6-ethyl-2-(1-pyrrolidinyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-ethyl-2-pyrrolidin-1-ylquinolin-1-ium-3-carbonitrile Traditional Name: 6-ethyl-2-pyrrolidino-quinolin-1-ium-3-carbonitrile Formula: C16H18N3+ MolecularWeight: 252.33422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCCC3

InChI

InChI=1S/C16H17N3/c1-2-12-5-6-15-13(9-12)10-14(11-17)16(18-15)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3/p+1