2-methoxycyclohepta[b]pyrrol-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-methoxycyclohepta[b]pyrrol-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-methoxycyclohepta[b]pyrrol-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-methoxy-1-cyclohepta[b]pyrrol-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-methoxycyclohepta[b]pyrrol-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2-methoxycyclohepta[b]pyrrol-1-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.COC1=CC2=CC=CC=CC2=[N+]1N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.COC1=CC2=CC=CC=CC2=[N+]1N

InChI

InChI=1S/C10H11N2O.C9H12O3S/c1-13-10-7-8-5-3-2-4-6-9(8)12(10)11;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-7H,11H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1