3,4-dimethyl-1-[(1R)-1-phenylethyl]pyridin-1-ium; naphthalene-2-sulfonate

Systemtic Name: 3,4-dimethyl-1-[(1R)-1-phenylethyl]pyridin-1-ium; naphthalene-2-sulfonate Openeye Name: 3,4-dimethyl-1-[(1R)-1-phenylethyl]pyridin-1-ium; naphthalene-2-sulfonate CAS Name: 3,4-dimethyl-1-[(1R)-1-phenylethyl]pyridin-1-ium; 2-naphthalenesulfonate IUPAC Name: 3,4-dimethyl-1-[(1R)-1-phenylethyl]pyridin-1-ium; naphthalene-2-sulfonate Traditional Name: 3,4-dimethyl-1-[(1R)-1-phenylethyl]pyridin-1-ium; naphthalene-2-sulfonate Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C(C)C2=CC=CC=C2)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=[N+](C=C1)[C@H](C)C2=CC=CC=C2)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H18N.C10H8O3S/c1-12-9-10-16(11-13(12)2)14(3)15-7-5-4-6-8-15;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h4-11,14H,1-3H3;1-7H,(H,11,12,13)/q+1;/p-1/t14-;/m1./s1