6-[bis(azanyl)methylideneamino]-2-(diethylamino)hexanoate; 4-methylbenzenesulfonic acid

Systemtic Name: 6-[bis(azanyl)methylideneamino]-2-(diethylamino)hexanoate; 4-methylbenzenesulfonic acid Openeye Name: 2-(diethylamino)-6-guanidino-hexanoate; 4-methylbenzenesulfonic acid CAS Name: 6-(diaminomethylideneamino)-2-(diethylamino)hexanoate; 4-methylbenzenesulfonic acid IUPAC Name: 6-(diaminomethylideneamino)-2-(diethylamino)hexanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-(diethylamino)-6-guanidino-hexanoate; tosylic acid Formula: C18H31N4O5S- MolecularWeight: 415.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CCCCN=C(N)N)C(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C(CCCCN=C(N)N)C(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H24N4O2.C7H8O3S/c1-3-15(4-2)9(10(16)17)7-5-6-8-14-11(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h9H,3-8H2,1-2H3,(H,16,17)(H4,12,13,14);2-5H,1H3,(H,8,9,10)/p-1