1-methylspiro[4H-isoquinolin-2-ium-3,1'-cycloheptane]; 3-oxidanylbenzoate

Systemtic Name: 1-methylspiro[4H-isoquinolin-2-ium-3,1'-cycloheptane]; 3-oxidanylbenzoate Openeye Name: 3-hydroxybenzoate; 1-methylspiro[4H-isoquinolin-2-ium-3,1'-cycloheptane] CAS Name: 3-hydroxybenzoate; 1-methylspiro[4H-isoquinolin-2-ium-3,1'-cycloheptane] IUPAC Name: 3-hydroxybenzoate; 1-methylspiro[4H-isoquinolin-2-ium-3,1'-cycloheptane] Traditional Name: 3-hydroxybenzoate; 1-methylspiro[4H-isoquinolin-2-ium-3,1'-cycloheptane] Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2(CCCCCC2)CC3=CC=CC=C13.C1=CC(=CC(=C1)O)C(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2(CCCCCC2)CC3=CC=CC=C13.C1=CC(=CC(=C1)O)C(=O)[O-]

InChI

InChI=1S/C16H21N.C7H6O3/c1-13-15-9-5-4-8-14(15)12-16(17-13)10-6-2-3-7-11-16;8-6-3-1-2-5(4-6)7(9)10/h4-5,8-9H,2-3,6-7,10-12H2,1H3;1-4,8H,(H,9,10)