[2,6-bis(azanyl)-4-(3-phenylpropylamino)pyridin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2,6-bis(azanyl)-4-(3-phenylpropylamino)pyridin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(3-phenylpropylamino)pyridin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(3-phenylpropylamino)-1-pyridin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(3-phenylpropylamino)pyridin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(3-phenylpropylamino)pyridin-1-ium-1-yl] ester Formula: C14H19N4O4S+ MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=CC(=[N+](C(=C2)N)OS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=CC(=[N+](C(=C2)N)OS(=O)(=O)O)N

InChI

InChI=1S/C14H18N4O4S/c15-13-9-12(10-14(16)18(13)22-23(19,20)21)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H5,15,16,17,19,20,21)/p+1