(S)-(4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-pyridin-3-yl-methanol

Systemtic Name: (S)-(4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-pyridin-3-yl-methanol Openeye Name: (S)-(4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-(3-pyridyl)methanol CAS Name: (S)-(4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-(3-pyridinyl)methanol IUPAC Name: (S)-(4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-pyridin-3-ylmethanol Traditional Name: (S)-(4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-(3-pyridyl)methanol Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCOC2=C(C1)C=C(C=C2)C(C3=CN=CC=C3)O

Isomeric SMILES

CCC[NH+]1CCOC2=C(C1)C=C(C=C2)[C@@H](C3=CN=CC=C3)O

InChI

InChI=1S/C18H22N2O2/c1-2-8-20-9-10-22-17-6-5-14(11-16(17)13-20)18(21)15-4-3-7-19-12-15/h3-7,11-12,18,21H,2,8-10,13H2,1H3/p+1/t18-/m0/s1