(3S)-N-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H23N2O+ MolecularWeight: 295.39872

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O/c22-19(20-12-6-9-15-7-2-1-3-8-15)18-13-16-10-4-5-11-17(16)14-21-18/h1-5,7-8,10-11,18,21H,6,9,12-14H2,(H,20,22)/p+1/t18-/m0/s1