5-(diethylamino)pentan-2-ol; (E)-3-phenylprop-2-enoic acid; hydrochloride

Systemtic Name: 5-(diethylamino)pentan-2-ol; (E)-3-phenylprop-2-enoic acid; hydrochloride Openeye Name: 5-(diethylamino)pentan-2-ol; (E)-3-phenylprop-2-enoic acid; hydrochloride CAS Name: 5-(diethylamino)-2-pentanol; (E)-3-phenyl-2-propenoic acid; hydrochloride IUPAC Name: 5-(diethylamino)pentan-2-ol; (E)-3-phenylprop-2-enoic acid; hydrochloride Traditional Name: 5-(diethylamino)pentan-2-ol; (E)-3-phenylacrylic acid; hydrochloride Formula: C18H30ClNO3 MolecularWeight: 343.8887

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)O.C1=CC=C(C=C1)C=CC(=O)O.Cl

Isomeric SMILES

CCN(CC)CCCC(C)O.C1=CC=C(C=C1)/C=C/C(=O)O.Cl

InChI

InChI=1S/C9H21NO.C9H8O2.ClH/c1-4-10(5-2)8-6-7-9(3)11;10-9(11)7-6-8-4-2-1-3-5-8;/h9,11H,4-8H2,1-3H3;1-7H,(H,10,11);1H/b;7-6+;