4-(3-phenylpropyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-(3-phenylpropyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-(3-phenylpropyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-(3-phenylpropyl)-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-(3-phenylpropyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: [4-(3-phenylpropyl)pyridin-1-ium-1-yl]amine; 2,4,6-trimethylbesylate Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)N

InChI

InChI=1S/C14H17N2.C9H12O3S/c15-16-11-9-14(10-12-16)8-4-7-13-5-2-1-3-6-13;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-3,5-6,9-12H,4,7-8,15H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1