cyclopentanesulfonate; (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-yl-ethenamine

Systemtic Name: cyclopentanesulfonate; (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-yl-ethenamine Openeye Name: cyclopentanesulfonate; (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-yl-ethenamine CAS Name: cyclopentanesulfonate; (E)-N,N-dimethyl-2-phenyl-1-(1-pyridin-1-iumyl)ethenamine IUPAC Name: cyclopentanesulfonate; (E)-N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine Traditional Name: cyclopentanesulfonate; dimethyl-[(E)-2-phenyl-1-pyridin-1-ium-1-yl-vinyl]amine Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=CC1=CC=CC=C1)[N+]2=CC=CC=C2.C1CCC(C1)S(=O)(=O)[O-]

Isomeric SMILES

CN(C)/C(=C\C1=CC=CC=C1)/[N+]2=CC=CC=C2.C1CCC(C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H17N2.C5H10O3S/c1-16(2)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14;6-9(7,8)5-3-1-2-4-5/h3-13H,1-2H3;5H,1-4H2,(H,6,7,8)/q+1;/p-1/b15-13+;