2-[1,4-bis(azanyl)-3-methyl-cyclohexa-2,4-dien-1-yl]ethyl-methyl-propan-2-yl-sulfino-azanium

Systemtic Name: 2-[1,4-bis(azanyl)-3-methyl-cyclohexa-2,4-dien-1-yl]ethyl-methyl-propan-2-yl-sulfino-azanium Openeye Name: 2-(1,4-diamino-3-methyl-cyclohexa-2,4-dien-1-yl)ethyl-isopropyl-methyl-sulfino-ammonium CAS Name: 2-(1,4-diamino-3-methyl-1-cyclohexa-2,4-dienyl)ethyl-methyl-propan-2-yl-sulfinoammonium IUPAC Name: 2-(1,4-diamino-3-methylcyclohexa-2,4-dien-1-yl)ethyl-methyl-propan-2-yl-sulfinoazanium Traditional Name: 2-(1,4-diamino-3-methyl-cyclohexa-2,4-dien-1-yl)ethyl-isopropyl-methyl-sulfino-ammonium Formula: C13H26N3O2S+ MolecularWeight: 288.42944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC=C1N)(CC[N+](C)(C(C)C)S(=O)O)N

Isomeric SMILES

CC1=CC(CC=C1N)(CC[N+](C)(C(C)C)S(=O)O)N

InChI

InChI=1S/C13H25N3O2S/c1-10(2)16(4,19(17)18)8-7-13(15)6-5-12(14)11(3)9-13/h5,9-10H,6-8,14-15H2,1-4H3/p+1