(E,2S)-N-methyl-5-pyridin-3-yl-pent-4-en-2-amine; 4-oxidanylbenzoic acid

Systemtic Name: (E,2S)-N-methyl-5-pyridin-3-yl-pent-4-en-2-amine; 4-oxidanylbenzoic acid Openeye Name: 4-hydroxybenzoic acid; (E,2S)-N-methyl-5-(3-pyridyl)pent-4-en-2-amine CAS Name: 4-hydroxybenzoic acid; (E,2S)-N-methyl-5-(3-pyridinyl)-4-penten-2-amine IUPAC Name: 4-hydroxybenzoic acid; (E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine Traditional Name: 4-hydroxybenzoic acid; methyl-[(E,1S)-1-methyl-4-(3-pyridyl)but-3-enyl]amine Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CN=CC=C1)NC.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

C[C@@H](C/C=C/C1=CN=CC=C1)NC.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C11H16N2.C7H6O3/c1-10(12-2)5-3-6-11-7-4-8-13-9-11;8-6-3-1-5(2-4-6)7(9)10/h3-4,6-10,12H,5H2,1-2H3;1-4,8H,(H,9,10)/b6-3+;/t10-;/m0./s1