[2-azanyl-6-methyl-4-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]pyridin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2-azanyl-6-methyl-4-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]pyridin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-6-methyl-4-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]pyridin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-6-methyl-4-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]-1-pyridin-1-iumyl] ester IUPAC Name: [2-amino-6-methyl-4-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]pyridin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-6-methyl-4-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]pyridin-1-ium-1-yl] ester Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)N2CCCC=CCC2)N)OS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C(=CC(=C1)N2CCC/C=C\CC2)N)OS(=O)(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-11-9-12(15-7-5-3-2-4-6-8-15)10-13(14)16(11)20-21(17,18)19/h2-3,9-10,14H,4-8H2,1H3,(H,17,18,19)/p+1/b3-2-